data_[Ta2Sn2Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.4289]
_cell_length_b [6.1032]
_cell_length_c [7.2962]
_cell_angle_alpha [89.6948]
_cell_angle_beta [80.0545]
_cell_angle_gamma [89.1337]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TaSnTe]
_chemical_formula_sum '[Ta2 Sn2 Te2]'
_cell_volume [150.3766]
_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  0.2408  0.7477  0.5134  1
  Sn  Sn1  2  0.3641  0.4271  0.1972  1
  Te  Te2  2  0.1636  0.0953  0.7603  1
]