data_[Pr4Cd4In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5272]
_cell_length_b [4.9960]
_cell_length_c [7.6907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.8626]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrCdIn]
_chemical_formula_sum '[Pr4 Cd4 In4]'
_cell_volume [329.8548]
_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  0.0191  0.5000  0.7712  1.0
  Cd  Cd1  4  0.1644  0.0000  0.2014  1.0
  In  In2  4  0.1661  0.0000  0.6382  1.0
]