data_[Ca2Pr2Ho4Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pr  1.1300  1.8500  1.0600
  Ho  1.2300  1.7500  1.0410
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.4212]
_cell_length_b [6.4212]
_cell_length_c [12.8471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [CaPr(HoBi2)2]
_chemical_formula_sum '[Ca2 Pr2 Ho4 Bi8]'
_cell_volume [529.7103]
_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
  Pr  Pr1  2  0.0000  0.0000  0.5000  1.0
  Ho  Ho2  4  0.0000  0.5000  0.2500  1.0
  Bi  Bi3  4  0.0000  0.0000  0.2497  1.0
  Bi  Bi4  4  0.0000  0.5000  0.0000  1.0
]