data_[Ca4Pr6Ho2Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2093]
_cell_length_b [12.5041]
_cell_length_c [7.4102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9781]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Pr3HoSe6]
_chemical_formula_sum '[Ca4 Pr6 Ho2 Se12]'
_cell_volume [631.6847]
_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  0.0000  0.3335  0.0000  1
  Pr  Pr1  4  0.0000  0.1717  0.5000  1
  Pr  Pr2  2  0.0000  0.5000  0.5000  1
  Ho  Ho3  2  0.0000  0.0000  0.0000  1
  Se  Se4  8  0.2423  0.1643  0.2339  1
  Se  Se5  4  0.2482  0.0000  0.7595  1
]