data_[Pr8In8Au4]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4236]
_cell_length_b [4.7365]
_cell_length_c [11.5944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1177]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2In2Au]
_chemical_formula_sum '[Pr8 In8 Au4]'
_cell_volume [558.3910]
_cell_formula_units_Z [4]
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  0.0075  0.0000  0.3276  1.0
  Pr  Pr1  4  0.1841  0.0000  0.1184  1.0
  In  In2  4  0.0343  0.5000  0.8904  1.0
  In  In3  4  0.1459  0.5000  0.5536  1.0
  Au  Au4  4  0.2198  0.5000  0.3324  1.0
]