data_[Te4As4Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2517]
_cell_length_b [7.1705]
_cell_length_c [8.0728]
_cell_angle_alpha [74.4385]
_cell_angle_beta [89.8794]
_cell_angle_gamma [64.1779]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Te2As2Cl]
_chemical_formula_sum '[Te4 As4 Cl2]'
_cell_volume [311.0492]
_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
[
  Te  Te0  2  0.1608  0.1809  0.5845  1.0
  Te  Te1  2  0.4857  0.5196  0.7377  1.0
  As  As2  2  0.0229  0.4581  0.2714  1.0
  As  As3  2  0.3502  0.7960  0.4225  1.0
  Cl  Cl4  2  0.1623  0.1890  0.1054  1.0
]