data_[Te2Se2Cl2]
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 [P-1]
_cell_length_a [5.4623]
_cell_length_b [5.5873]
_cell_length_c [9.5240]
_cell_angle_alpha [85.4965]
_cell_angle_beta [82.6131]
_cell_angle_gamma [67.8978]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TeSeCl]
_chemical_formula_sum '[Te2 Se2 Cl2]'
_cell_volume [266.9261]
_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  0.0366  0.4221  0.6903  1
  Se  Se1  2  0.0899  0.3311  0.0918  1
  Cl  Cl2  2  0.3407  0.7165  0.3136  1
]