data_[Te4Se4Cl4]
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 [P2_1/c]
_cell_length_a [7.0058]
_cell_length_b [8.4499]
_cell_length_c [8.5544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.2568]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TeSeCl]
_chemical_formula_sum '[Te4 Se4 Cl4]'
_cell_volume [432.9033]
_cell_formula_units_Z [4]
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  4  0.2317  0.5123  0.7379  1
  Se  Se1  4  0.1899  0.5709  0.4307  1
  Cl  Cl2  4  0.3264  0.0883  0.6064  1
]