data_[Pr6Cd8In8]
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 [31.2360]
_cell_length_b [3.8114]
_cell_length_c [5.0009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9538]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3(CdIn)4]
_chemical_formula_sum '[Pr6 Cd8 In8]'
_cell_volume [588.1157]
_cell_formula_units_Z [2]
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  0.1421  0.0000  0.1470  1.0
  Pr  Pr1  2  0.0000  0.0000  0.5000  1.0
  Cd  Cd2  4  0.0927  0.5000  0.5950  1.0
  Cd  Cd3  4  0.2389  0.5000  0.2426  1.0
  In  In4  4  0.0478  0.5000  0.0507  1.0
  In  In5  4  0.1854  0.5000  0.6921  1.0
]