data_[Pr4Sm6Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.8821]
_cell_length_b [7.8636]
_cell_length_c [7.5026]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4857]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr2Sm3Au4]
_chemical_formula_sum '[Pr4 Sm6 Au8]'
_cell_volume [490.8813]
_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  4  0.1870  0.6789  0.5519  1
  Sm  Sm1  4  0.2409  0.1677  0.7348  1
  Sm  Sm2  2  0.5000  0.0000  0.5000  1
  Au  Au3  4  0.0717  0.0336  0.3376  1
  Au  Au4  4  0.4889  0.6380  0.3676  1
]