data_[Sb2As1P1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.0838]
_cell_length_b [4.0838]
_cell_length_c [5.9258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Sb2AsP]
_chemical_formula_sum '[Sb2 As1 P1]'
_cell_volume [98.8286]
_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
[
  Sb  Sb0  1  0.0000  0.0000  0.8948  1.0
  Sb  Sb1  1  0.5000  0.5000  0.4097  1.0
  As  As2  1  0.0000  0.0000  0.3485  1.0
  P  P3  1  0.5000  0.5000  0.8469  1.0
]