data_[Ca16Ga4Bi4]
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/c]
_cell_length_a [9.8001]
_cell_length_b [14.0915]
_cell_length_c [6.7670]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.3605]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ca4GaBi]
_chemical_formula_sum '[Ca16 Ga4 Bi4]'
_cell_volume [806.3521]
_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  8  0.1161  0.1722  0.5867  1.0
  Ca  Ca1  8  0.2103  0.4370  0.7904  1.0
  Ga  Ga2  4  0.0000  0.0016  0.7500  1.0
  Bi  Bi3  4  0.0000  0.3628  0.2500  1.0
]