data_[Pr8Cu8Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cu  1.9000  1.3500  0.8200
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7118]
_cell_length_b [4.1092]
_cell_length_c [11.3944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3053]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Cu2Rh]
_chemical_formula_sum '[Pr8 Cu8 Rh4]'
_cell_volume [445.6644]
_cell_formula_units_Z [4]
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  0.0555  0.0000  0.3582  1.0
  Pr  Pr1  4  0.2023  0.0000  0.1164  1.0
  Cu  Cu2  4  0.0141  0.5000  0.8918  1.0
  Cu  Cu3  4  0.1235  0.5000  0.5781  1.0
  Rh  Rh4  4  0.2302  0.5000  0.3115  1.0
]