data_[Pr9In21Cu6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.0838]
_cell_length_b [6.0838]
_cell_length_c [27.3669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr3In7Cu2]
_chemical_formula_sum '[Pr9 In21 Cu6]'
_cell_volume [877.2298]
_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  6  0.0000  0.0000  0.1407  1.0
  Pr  Pr1  3  0.0000  0.0000  0.0000  1.0
  In  In2  18  0.0070  0.5035  0.9241  1.0
  In  In3  3  -0.0000  -0.0000  0.5000  1.0
  Cu  Cu4  6  0.0000  0.0000  0.3354  1.0
]