data_[Ba4Ca4Sn4Bi8]
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
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cmme]
_cell_length_a [7.0595]
_cell_length_b [15.9640]
_cell_length_c [6.5240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [67]
_chemical_formula_structural [BaCaSnBi2]
_chemical_formula_sum '[Ba4 Ca4 Sn4 Bi8]'
_cell_volume [735.2361]
_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
[
  Ba  Ba0  4  0.0000  0.2500  0.7812  1
  Ca  Ca1  4  0.2500  0.0000  0.5000  1
  Sn  Sn2  4  0.0000  0.0000  0.0000  1
  Bi  Bi3  8  0.0000  0.1512  0.2828  1
]