data_[Ca2Tl4Sb4Au14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3634]
_cell_length_b [6.2279]
_cell_length_c [15.5064]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1801]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaTl2Sb2Au7]
_chemical_formula_sum '[Ca2 Tl4 Sb4 Au14]'
_cell_volume [602.8702]
_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  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.0823  0.0000  0.3944  1.0
  Sb  Sb2  4  0.0832  0.5000  0.2460  1.0
  Au  Au3  8  0.1987  0.2395  0.8633  1.0
  Au  Au4  4  0.0637  0.5000  0.4214  1.0
  Au  Au5  2  0.0000  0.5000  0.0000  1.0
]