data_[Pr4Pt2Au5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4671]
_cell_length_b [3.9325]
_cell_length_c [9.2142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8598]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr4Pt2Au5]
_chemical_formula_sum '[Pr4 Pt2 Au5]'
_cell_volume [270.2350]
_cell_formula_units_Z [1]
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  0.2087  0.5000  0.8598  1.0
  Pr  Pr1  2  0.2410  0.5000  0.4120  1.0
  Pt  Pt2  2  0.0704  0.0000  0.6407  1.0
  Au  Au3  2  0.1591  0.0000  0.1288  1.0
  Au  Au4  2  0.4476  0.0000  0.6622  1.0
  Au  Au5  1  0.5000  0.0000  0.0000  1.0
]