data_[Ca2Dy10Bi12]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7822]
_cell_length_b [13.5003]
_cell_length_c [7.8048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5099]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaDy5Bi6]
_chemical_formula_sum '[Ca2 Dy10 Bi12]'
_cell_volume [772.9090]
_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  0.0000  0.0000  1.0
  Dy  Dy1  4  0.0000  0.1646  0.5000  1.0
  Dy  Dy2  4  0.0000  0.3323  0.0000  1.0
  Dy  Dy3  2  0.0000  0.5000  0.5000  1.0
  Bi  Bi4  8  0.2461  0.3309  0.7469  1.0
  Bi  Bi5  4  0.2454  0.5000  0.2516  1.0
]