data_[Ta3Te2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.5294]
_cell_length_b [3.5294]
_cell_length_c [21.9666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Ta3(TeSe2)2]
_chemical_formula_sum '[Ta3 Te2 Se4]'
_cell_volume [236.9748]
_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
[
  Ta  Ta0  2  0.0000  0.0000  0.3282  1
  Ta  Ta1  1  0.6667  0.3333  0.0000  1
  Te  Te2  2  0.0000  0.0000  0.0871  1
  Se  Se3  2  0.6667  0.3333  0.4037  1
  Se  Se4  2  0.6667  0.3333  0.7474  1
]