data_[Te2As2Cl2]
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 [P2_1]
_cell_length_a [4.2999]
_cell_length_b [5.9340]
_cell_length_c [8.1074]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9732]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [TeAsCl]
_chemical_formula_sum '[Te2 As2 Cl2]'
_cell_volume [206.3683]
_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  0.2500  0.3063  0.1039  1.0
  As  As1  2  0.4006  0.7469  0.1500  1.0
  Cl  Cl2  2  0.2241  0.2017  0.6381  1.0
]