data_[Ca12Ga4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ga  1.8100  1.3000  0.7600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3745]
_cell_length_b [4.0408]
_cell_length_c [9.1207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.3421]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3GaBi]
_chemical_formula_sum '[Ca12 Ga4 Bi4]'
_cell_volume [636.4094]
_cell_formula_units_Z [4]
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
[
  Ca  Ca0  4  0.0506  0.0000  0.6917  1.0
  Ca  Ca1  4  0.1044  0.5000  0.0646  1.0
  Ca  Ca2  4  0.2475  0.0000  0.3060  1.0
  Ga  Ga3  4  0.2094  0.0000  0.9323  1.0
  Bi  Bi4  4  0.1090  0.5000  0.4235  1.0
]