data_[Pr4Ho6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [7.1438]
_cell_length_b [12.3131]
_cell_length_c [7.2088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2178]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2(HoSe2)3]
_chemical_formula_sum '[Pr4 Ho6 Se12]'
_cell_volume [598.7696]
_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
[
  Pr  Pr0  4  0.0000  0.1650  0.5000  1
  Ho  Ho1  4  0.0000  0.3340  0.0000  1
  Ho  Ho2  2  0.0000  0.0000  0.0000  1
  Se  Se3  8  0.2491  0.1635  0.2371  1
  Se  Se4  4  0.2384  0.5000  0.2404  1
]