data_[Te1Se1Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.0988]
_cell_length_b [3.8097]
_cell_length_c [6.9942]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2750]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TeSeCl2]
_chemical_formula_sum '[Te1 Se1 Cl2]'
_cell_volume [152.4382]
_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  0.6920  0.5000  0.4622  1
  Se  Se1  1  0.5193  0.0000  0.1885  1
  Cl  Cl2  1  0.3799  0.5000  0.5920  1
  Cl  Cl3  1  0.9087  0.0000  0.7574  1
]