data_[Pr3Sm12Ho3Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Ho  1.2300  1.7500  1.0410
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.5822]
_cell_length_b [8.5822]
_cell_length_c [21.0994]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [PrSm4HoSe8]
_chemical_formula_sum '[Pr3 Sm12 Ho3 Se24]'
_cell_volume [1345.8604]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0011  1
  Sm  Sm1  9  0.1680  0.3361  0.8329  1
  Sm  Sm2  3  0.0000  0.0000  0.6256  1
  Ho  Ho3  3  0.0000  0.0000  0.3744  1
  Se  Se4  9  0.0088  0.5044  0.7533  1
  Se  Se5  9  0.1753  0.3507  0.5790  1
  Se  Se6  3  0.0000  0.0000  0.2447  1
  Se  Se7  3  0.0000  0.0000  0.7584  1
]