data_[La8Pr14In2]
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 [C2/m]
_cell_length_a [16.5410]
_cell_length_b [6.1722]
_cell_length_c [9.6086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2463]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La4Pr7In]
_chemical_formula_sum '[La8 Pr14 In2]'
_cell_volume [879.8498]
_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  0.0952  0.5000  0.4883  1
  La  La1  4  0.2255  0.5000  0.2736  1
  Pr  Pr2  4  0.0661  0.0000  0.7234  1
  Pr  Pr3  4  0.1567  0.0000  0.3435  1
  Pr  Pr4  4  0.2233  0.5000  0.8986  1
  Pr  Pr5  2  0.0000  0.5000  0.0000  1
  In  In6  2  0.0000  0.0000  0.0000  1
]