data_[Ca2Dy6Ho4Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Dy  1.2200  1.7500  1.1310
  Ho  1.2300  1.7500  1.0410
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.6116]
_cell_length_b [4.4619]
_cell_length_c [9.0535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2928]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaDy3(HoBi3)2]
_chemical_formula_sum '[Ca2 Dy6 Ho4 Bi12]'
_cell_volume [770.9920]
_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
  Dy  Dy1  4  0.1650  0.0000  0.8343  1.0
  Dy  Dy2  2  0.0000  0.5000  0.5000  1.0
  Ho  Ho3  4  0.1664  0.0000  0.3319  1.0
  Bi  Bi4  4  0.0009  0.0000  0.2566  1.0
  Bi  Bi5  4  0.1674  0.5000  0.5827  1.0
  Bi  Bi6  4  0.1694  0.5000  0.0862  1.0
]