data_[Pr6In2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  In  1.7800  1.5500  0.9400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1492]
_cell_length_b [4.6927]
_cell_length_c [8.4194]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3311]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr3InRu]
_chemical_formula_sum '[Pr6 In2 Ru2]'
_cell_volume [297.8223]
_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  0.0399  0.7500  0.2369  1.0
  Pr  Pr1  2  0.3309  0.7500  0.9078  1.0
  Pr  Pr2  2  0.3444  0.2500  0.5803  1.0
  In  In3  2  0.3072  0.2500  0.1777  1.0
  Ru  Ru4  2  0.0922  0.7500  0.5783  1.0
]