data_[Ta1Sn1Te2]
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 [Pm]
_cell_length_a [3.5669]
_cell_length_b [18.8456]
_cell_length_c [5.4441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7355]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TaSnTe2]
_chemical_formula_sum '[Ta1 Sn1 Te2]'
_cell_volume [355.4904]
_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  1  0.0711  0.0000  0.0210  1
  Sn  Sn1  1  0.7143  0.0000  0.4538  1
  Te  Te2  2  0.5103  0.1020  0.8444  1
]