data_[Ga2Ni2Bi2P2S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
  Bi  2.0200  1.6000  1.0350
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.5136]
_cell_length_b [3.8009]
_cell_length_c [15.8174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [GaNiBiPS]
_chemical_formula_sum '[Ga2 Ni2 Bi2 P2 S2]'
_cell_volume [211.2385]
_cell_formula_units_Z [2]
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
[
  Ga  Ga0  2  0.0000  0.5000  0.0933  1
  Ni  Ni1  2  0.0000  0.5000  0.7663  1
  Bi  Bi2  2  0.0000  0.5000  0.3474  1
  P  P3  2  0.0000  0.0000  0.1833  1
  S  S4  2  0.0000  0.0000  0.5001  1
]