data_[Te1As1Cl2]
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 [Pm]
_cell_length_a [5.7290]
_cell_length_b [3.8674]
_cell_length_c [6.5065]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2051]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TeAsCl2]
_chemical_formula_sum '[Te1 As1 Cl2]'
_cell_volume [143.7723]
_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  0.4937  0.0000  0.0573  1
  As  As1  1  0.6435  0.5000  0.3219  1
  Cl  Cl2  1  0.0051  0.0000  0.0820  1
  Cl  Cl3  1  0.3577  0.5000  0.5388  1
]