data_[B2As1P1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.2176]
_cell_length_b [4.5538]
_cell_length_c [16.9716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [108.2505]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [B2AsP]
_chemical_formula_sum '[B2 As1 P1]'
_cell_volume [236.1625]
_cell_formula_units_Z [1]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
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
[
  B  B0  1  0.2950  0.6442  0.5281  1
  B  B1  1  0.8498  0.7757  0.5415  1
  As  As2  1  0.5464  0.9749  0.4253  1
  P  P3  1  0.1478  0.2033  0.5051  1
]