data_[Ce2Sb1Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sb  2.0500  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.5970]
_cell_length_b [4.7977]
_cell_length_c [8.4400]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ce2SbAu3]
_chemical_formula_sum '[Ce2 Sb1 Au3]'
_cell_volume [145.6536]
_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
[
  Ce  Ce0  1  0.0000  0.0000  0.9834  1.0
  Ce  Ce1  1  0.0000  0.5000  0.5184  1.0
  Sb  Sb2  1  0.5000  0.0000  0.3334  1.0
  Au  Au3  1  0.5000  0.0000  0.6684  1.0
  Au  Au4  1  0.5000  0.5000  0.1623  1.0
  Au  Au5  1  0.5000  0.5000  0.8341  1.0
]