data_[Si1B1P1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  B  2.0400  0.8500  0.4100
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [2.6426]
_cell_length_b [3.3850]
_cell_length_c [4.7621]
_cell_angle_alpha [90.7699]
_cell_angle_beta [105.1720]
_cell_angle_gamma [110.8293]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SiBP]
_chemical_formula_sum '[Si1 B1 P1]'
_cell_volume [38.1580]
_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
[
  Si  Si0  1  0.2883  0.4844  0.3458  1
  B  B1  1  0.0909  0.9479  0.5621  1
  P  P2  1  0.2925  0.9669  0.9764  1
]