data_[La8Pr6In2]
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 [Pmn2_1]
_cell_length_a [11.7636]
_cell_length_b [7.3364]
_cell_length_c [6.3542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [La4Pr3In]
_chemical_formula_sum '[La8 Pr6 In2]'
_cell_volume [548.3797]
_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
[
  La  La0  4  0.2267  0.3633  0.1426  1
  La  La1  2  0.0000  0.3688  0.5099  1
  La  La2  2  0.0000  0.6156  0.9494  1
  Pr  Pr3  4  0.2438  0.8836  0.1550  1
  Pr  Pr4  2  0.0000  0.8762  0.4829  1
  In  In5  2  0.0000  0.1064  0.9778  1
]