data_[Sc2Te4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7022]
_cell_length_b [7.1652]
_cell_length_c [7.6036]
_cell_angle_alpha [79.1053]
_cell_angle_beta [64.2277]
_cell_angle_gamma [75.8995]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sc(TeCl)2]
_chemical_formula_sum '[Sc2 Te4 Cl4]'
_cell_volume [317.4709]
_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
[
  Sc  Sc0  2  0.1797  0.9859  0.6484  1
  Te  Te1  2  0.1057  0.6479  0.0077  1
  Te  Te2  2  0.2583  0.0663  0.9952  1
  Cl  Cl3  2  0.0839  0.7680  0.4885  1
  Cl  Cl4  2  0.4312  0.2319  0.4681  1
]