data_[Pr36Ho21In3]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [15.1188]
_cell_length_b [15.1188]
_cell_length_c [10.3139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pr12Ho7In]
_chemical_formula_sum '[Pr36 Ho21 In3]'
_cell_volume [2041.6751]
_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  18  0.0407  0.1871  0.2494  1
  Pr  Pr1  18  0.0454  0.2522  0.5736  1
  Ho  Ho2  18  0.0659  0.2398  0.9279  1
  Ho  Ho3  3  0.0000  0.0000  0.5000  1
  In  In4  3  0.0000  0.0000  0.0000  1
]