data_[Pr2Sm2Au8]
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 [C2/m]
_cell_length_a [10.0214]
_cell_length_b [3.8723]
_cell_length_c [7.7191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4550]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrSmAu4]
_chemical_formula_sum '[Pr2 Sm2 Au8]'
_cell_volume [276.8401]
_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  0.0000  0.5000  0.5000  1.0
  Sm  Sm1  2  0.0000  0.5000  0.0000  1.0
  Au  Au2  4  0.1639  0.0000  0.3257  1.0
  Au  Au3  4  0.1663  0.0000  0.8381  1.0
]