data_[Ta2Te2Se4]
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 [Cm]
_cell_length_a [12.8095]
_cell_length_b [3.3077]
_cell_length_c [5.9472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7529]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TaTeSe2]
_chemical_formula_sum '[Ta2 Te2 Se4]'
_cell_volume [237.1551]
_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
[
  Ta  Ta0  2  0.0032  0.5000  0.6326  1
  Te  Te1  2  0.3469  0.5000  0.2977  1
  Se  Se2  2  0.1510  0.0000  0.6110  1
  Se  Se3  2  0.4988  0.5000  0.9588  1
]