data_[Ca2Sb4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sb  2.0500  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.8091]
_cell_length_b [4.6188]
_cell_length_c [11.6892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3492]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ca(SbAu)2]
_chemical_formula_sum '[Ca2 Sb4 Au4]'
_cell_volume [259.4214]
_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
[
  Ca  Ca0  2  0.2433  0.2500  0.7742  1.0
  Sb  Sb1  2  0.1847  0.2500  0.1343  1.0
  Sb  Sb2  2  0.1998  0.7500  0.4741  1.0
  Au  Au3  2  0.3343  0.7500  0.0247  1.0
  Au  Au4  2  0.4484  0.2500  0.3420  1.0
]