data_[Ca8Sn4Bi10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Pbam]
_cell_length_a [8.1167]
_cell_length_b [20.4059]
_cell_length_c [4.1728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Ca4Sn2Bi5]
_chemical_formula_sum '[Ca8 Sn4 Bi10]'
_cell_volume [691.1273]
_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  4  0.0955  0.1385  0.5000  1
  Ca  Ca1  4  0.1926  0.4457  0.5000  1
  Sn  Sn2  4  0.0276  0.7041  0.5000  1
  Bi  Bi3  4  0.1290  0.5823  0.0000  1
  Bi  Bi4  4  0.2292  0.8042  0.0000  1
  Bi  Bi5  2  0.0000  0.0000  0.0000  1
]