data_[Ca24Ga8Bi24]
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 [Cmce]
_cell_length_a [20.3656]
_cell_length_b [6.7866]
_cell_length_c [13.2533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ca3GaBi3]
_chemical_formula_sum '[Ca24 Ga8 Bi24]'
_cell_volume [1831.7721]
_cell_formula_units_Z [8]
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  16  0.1773  0.2094  0.6209  1
  Ca  Ca1  8  0.0000  0.2009  0.3662  1
  Ga  Ga2  8  0.0890  0.0000  0.0000  1
  Bi  Bi3  16  0.1630  0.2316  0.8669  1
  Bi  Bi4  8  0.0000  0.2184  0.1212  1
]