data_[Ba4Ca2In4Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3866]
_cell_length_b [5.1105]
_cell_length_c [7.8045]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4950]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Ca(InBi2)2]
_chemical_formula_sum '[Ba4 Ca2 In4 Bi8]'
_cell_volume [653.7084]
_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
[
  Ba  Ba0  4  0.1310  0.0000  0.6102  1.0
  Ca  Ca1  2  0.0000  0.0000  0.0000  1.0
  In  In2  4  0.1587  0.5000  0.9992  1.0
  Bi  Bi3  4  0.0091  0.5000  0.2799  1.0
  Bi  Bi4  4  0.2076  0.0000  0.2144  1.0
]