data_[La4Pr24In8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [18.6602]
_cell_length_b [12.2237]
_cell_length_c [5.4205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La(Pr3In)2]
_chemical_formula_sum '[La4 Pr24 In8]'
_cell_volume [1236.4013]
_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
[
  La  La0  4  0.0000  0.2305  0.7500  1
  Pr  Pr1  8  0.0925  0.0837  0.2500  1
  Pr  Pr2  8  0.0987  0.3782  0.2500  1
  Pr  Pr3  8  0.2029  0.1560  0.7500  1
  In  In4  8  0.2097  0.4182  0.7500  1
]