data_[Pr2Ho6Se12]
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 [P2_1/m]
_cell_length_a [11.6053]
_cell_length_b [4.1404]
_cell_length_c [11.8968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1229]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr(HoSe2)3]
_chemical_formula_sum '[Pr2 Ho6 Se12]'
_cell_volume [540.0965]
_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  2  0.0480  0.7500  0.6959  1.0
  Ho  Ho1  2  0.1592  0.7500  0.0862  1.0
  Ho  Ho2  2  0.3194  0.2500  0.4997  1.0
  Ho  Ho3  2  0.4396  0.7500  0.8336  1.0
  Se  Se4  2  0.0836  0.2500  0.9062  1.0
  Se  Se5  2  0.1182  0.7500  0.4655  1.0
  Se  Se6  2  0.1974  0.2500  0.2501  1.0
  Se  Se7  2  0.2629  0.2500  0.7271  1.0
  Se  Se8  2  0.3931  0.7500  0.0586  1.0
  Se  Se9  2  0.4803  0.7500  0.6139  1.0
]