Datasets:
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# generated using pymatgen
data_BP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.53214477
_cell_length_b 4.53214477
_cell_length_c 4.53214477
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BP
_chemical_formula_sum 'B4 P4'
_cell_volume 93.09177730
_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
B3+ 3.0
P3- -3.0
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
B3+ B0 1 0.00000000 0.00000000 0.00000000 1
B3+ B1 1 0.00000000 0.50000000 0.50000000 1
B3+ B2 1 0.50000000 0.00000000 0.50000000 1
B3+ B3 1 0.50000000 0.50000000 0.00000000 1
P3- P4 1 0.25000000 0.75000000 0.75000000 1
P3- P5 1 0.25000000 0.25000000 0.25000000 1
P3- P6 1 0.75000000 0.75000000 0.25000000 1
P3- P7 1 0.75000000 0.25000000 0.75000000 1
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