data_[Pr4In12Au8]
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 [17.1650]
_cell_length_b [4.5251]
_cell_length_c [8.7388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.5095]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrIn3Au2]
_chemical_formula_sum '[Pr4 In12 Au8]'
_cell_volume [584.7952]
_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  0.1281  0.0000  0.1325  1
  In  In1  4  0.0062  0.0000  0.6632  1
  In  In2  4  0.1680  0.5000  0.4730  1
  In  In3  4  0.1723  0.5000  0.8734  1
  Au  Au4  4  0.0010  0.5000  0.8432  1
  Au  Au5  4  0.2107  0.0000  0.7099  1
]