data_[Ca8Te8Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9284]
_cell_length_b [10.1590]
_cell_length_c [8.5149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.8594]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaTeAu]
_chemical_formula_sum '[Ca8 Te8 Au8]'
_cell_volume [662.9950]
_cell_formula_units_Z [8]
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  8  0.2479  0.4561  0.3837  1
  Te  Te1  4  0.0000  0.1608  0.7500  1
  Te  Te2  4  0.0000  0.1998  0.2500  1
  Au  Au3  8  0.0001  0.3752  0.9500  1
]