data_[Te1Au1Cl2]
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 [Pm]
_cell_length_a [3.4347]
_cell_length_b [3.8018]
_cell_length_c [8.8581]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4454]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TeAuCl2]
_chemical_formula_sum '[Te1 Au1 Cl2]'
_cell_volume [114.9391]
_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
[
  Te  Te0  1  0.0228  0.0000  0.4704  1
  Au  Au1  1  0.9677  0.5000  0.2559  1
  Cl  Cl2  1  0.0857  0.5000  0.7005  1
  Cl  Cl3  1  0.9238  0.0000  0.0733  1
]