data_[Pr4In12Cu4]
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 [Pnma]
_cell_length_a [9.0700]
_cell_length_b [4.5107]
_cell_length_c [11.5614]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [PrIn3Cu]
_chemical_formula_sum '[Pr4 In12 Cu4]'
_cell_volume [473.0020]
_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  0.1854  0.2500  0.9958  1.0
  In  In1  4  0.0649  0.2500  0.4137  1.0
  In  In2  4  0.1163  0.7500  0.2008  1.0
  In  In3  4  0.1358  0.7500  0.7895  1.0
  Cu  Cu4  4  0.1007  0.2500  0.6429  1.0
]