data_[Ca2Tb6Y4Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.6853]
_cell_length_b [4.4791]
_cell_length_c [9.0884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2699]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaTb3(YBi3)2]
_chemical_formula_sum '[Ca2 Tb6 Y4 Bi12]'
_cell_volume [779.9423]
_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  0.5000  0.0000  1.0
  Tb  Tb1  4  0.1654  0.0000  0.8345  1.0
  Tb  Tb2  2  0.0000  0.5000  0.5000  1.0
  Y  Y3  4  0.1664  0.0000  0.3321  1.0
  Bi  Bi4  4  0.0005  0.0000  0.2558  1.0
  Bi  Bi5  4  0.1673  0.5000  0.5831  1.0
  Bi  Bi6  4  0.1690  0.5000  0.0856  1.0
]