data_[Cr1Ga1Bi1P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ga  1.8100  1.3000  0.7600
  Bi  2.0200  1.6000  1.0350
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3274]
_cell_length_b [4.3274]
_cell_length_c [5.8326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [CrGaBiP2]
_chemical_formula_sum '[Cr1 Ga1 Bi1 P2]'
_cell_volume [109.2245]
_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
[
  Cr  Cr0  1  0.0000  0.0000  0.0000  1
  Ga  Ga1  1  0.5000  0.5000  0.5000  1
  Bi  Bi2  1  0.0000  0.0000  0.5000  1
  P  P3  2  0.0000  0.5000  0.0000  1
]