data_[Te12Au4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.8186]
_cell_length_b [7.0353]
_cell_length_c [10.8220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.2638]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Te3AuCl]
_chemical_formula_sum '[Te12 Au4 Cl4]'
_cell_volume [632.1304]
_cell_formula_units_Z [4]
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
[
  Te  Te0  4  0.1131  0.0856  0.4199  1.0
  Te  Te1  4  0.2139  0.0491  0.1365  1.0
  Te  Te2  4  0.3255  0.6897  0.8986  1.0
  Au  Au3  4  0.0606  0.6374  0.3731  1.0
  Cl  Cl4  4  0.4232  0.5290  0.2938  1.0
]