data_[Ta4In4Ag4Te8Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9118]
_cell_length_b [15.1044]
_cell_length_c [10.3855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [TaInAgTe2Se]
_chemical_formula_sum '[Ta4 In4 Ag4 Te8 Se4]'
_cell_volume [613.6358]
_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
[
  Ta  Ta0  4  0.0000  0.0000  0.0000  1
  In  In1  4  0.0000  0.2559  0.2500  1
  Ag  Ag2  4  0.0000  0.4595  0.7500  1
  Te  Te3  8  0.0000  0.3629  0.5314  1
  Se  Se4  4  0.0000  0.0735  0.7500  1
]