data_[La6Pr4In2]
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 [Pmc2_1]
_cell_length_a [5.7829]
_cell_length_b [10.7682]
_cell_length_c [6.6298]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [La3Pr2In]
_chemical_formula_sum '[La6 Pr4 In2]'
_cell_volume [412.8528]
_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  2  0.0000  0.4287  0.9172  1
  La  La1  2  0.5000  0.0478  0.6951  1
  La  La2  2  0.5000  0.2655  0.0764  1
  Pr  Pr3  2  0.0000  0.2084  0.4480  1
  Pr  Pr4  2  0.5000  0.4005  0.5981  1
  In  In5  2  0.0000  0.1047  0.9666  1
]