data_[Pr2Y6In4]
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 [Pmc2_1]
_cell_length_a [5.2719]
_cell_length_b [9.9185]
_cell_length_c [6.7786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [PrY3In2]
_chemical_formula_sum '[Pr2 Y6 In4]'
_cell_volume [354.4502]
_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  2  0.5000  0.4628  0.5360  1
  Y  Y1  2  0.0000  0.0405  0.4686  1
  Y  Y2  2  0.0000  0.3157  0.8129  1
  Y  Y3  2  0.5000  0.1770  0.1859  1
  In  In4  2  0.0000  0.3525  0.2826  1
  In  In5  2  0.5000  0.1403  0.7141  1
]