Datasets:
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# generated using pymatgen
data_BaTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.08983954
_cell_length_b 7.08983954
_cell_length_c 7.08983954
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaTe
_chemical_formula_sum 'Ba4 Te4'
_cell_volume 356.37663148
_cell_formula_units_Z 4
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ba2+ 2.0
Te2- -2.0
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ba2+ Ba0 1 0.00000000 0.00000000 0.00000000 1
Ba2+ Ba1 1 0.00000000 0.50000000 0.50000000 1
Ba2+ Ba2 1 0.50000000 0.00000000 0.50000000 1
Ba2+ Ba3 1 0.50000000 0.50000000 0.00000000 1
Te2- Te4 1 0.00000000 0.00000000 0.50000000 1
Te2- Te5 1 0.00000000 0.50000000 0.00000000 1
Te2- Te6 1 0.50000000 0.00000000 0.00000000 1
Te2- Te7 1 0.50000000 0.50000000 0.50000000 1
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