data_[Bi3Sb1P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Sb  2.0500  1.4500  0.8300
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.9165]
_cell_length_b [7.6388]
_cell_length_c [17.5115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Bi3SbP4]
_chemical_formula_sum '[Bi3 Sb1 P4]'
_cell_volume [791.4351]
_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
[
  Bi  Bi0  2  0.2735  0.2408  0.5378  1
  Bi  Bi1  1  0.9329  0.0000  0.4350  1
  Sb  Sb2  1  0.7989  0.5000  0.4458  1
  P  P3  2  0.7288  0.3621  0.5784  1
  P  P4  1  0.2388  0.5000  0.4358  1
  P  P5  1  0.4869  0.0000  0.4511  1
]