data_[Te10Se2Cl4]
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 [Cm]
_cell_length_a [11.8269]
_cell_length_b [8.3655]
_cell_length_c [6.7544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2342]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Te5SeCl2]
_chemical_formula_sum '[Te10 Se2 Cl4]'
_cell_volume [655.4647]
_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  4  0.1578  0.1697  0.6556  1
  Te  Te1  4  0.4589  0.3308  0.3461  1
  Te  Te2  2  0.0375  0.0000  0.9703  1
  Se  Se3  2  0.3399  0.5000  0.7832  1
  Cl  Cl4  2  0.0702  0.5000  0.4984  1
  Cl  Cl5  2  0.3189  0.0000  0.9676  1
]