data_[Ca2Tl4In2Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.8549]
_cell_length_b [10.7291]
_cell_length_c [7.6489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [CaTl2InBi2]
_chemical_formula_sum '[Ca2 Tl4 In2 Bi4]'
_cell_volume [398.4240]
_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
[
  Ca  Ca0  2  0.0000  0.4400  0.9756  1.0
  Tl  Tl1  2  0.0000  0.1665  0.3223  1.0
  Tl  Tl2  2  0.5000  0.0373  0.0565  1.0
  In  In3  2  0.5000  0.3214  0.6598  1.0
  Bi  Bi4  2  0.0000  0.1646  0.7701  1.0
  Bi  Bi5  2  0.5000  0.3953  0.2611  1.0
]