data_[Pr6Y8In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.4497]
_cell_length_b [7.2145]
_cell_length_c [6.3089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Pr3Y4In]
_chemical_formula_sum '[Pr6 Y8 In2]'
_cell_volume [521.1375]
_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  0.2388  0.6144  0.9708  1.0
  Pr  Pr1  2  0.0000  0.6274  0.6254  1.0
  Y  Y2  4  0.2388  0.1221  0.9908  1.0
  Y  Y3  2  0.0000  0.1300  0.6476  1.0
  Y  Y4  2  0.0000  0.8759  0.1658  1.0
  In  In5  2  0.0000  0.3565  0.1532  1.0
]