data_[Ca16Si4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Si  1.9000  1.1000  0.5400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5704]
_cell_length_b [13.9568]
_cell_length_c [6.6405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.7027]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ca4SiBi]
_chemical_formula_sum '[Ca16 Si4 Bi4]'
_cell_volume [770.4420]
_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  0.1137  0.1722  0.0887  1.0
  Ca  Ca1  8  0.2122  0.4336  0.2998  1.0
  Si  Si2  4  0.0000  0.0018  0.7500  1.0
  Bi  Bi3  4  0.0000  0.3655  0.7500  1.0
]