data_[Ta2Ti4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ti  1.5400  1.4000  0.8517
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4808]
_cell_length_b [3.7414]
_cell_length_c [9.5757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4957]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta(TiTe3)2]
_chemical_formula_sum '[Ta2 Ti4 Te12]'
_cell_volume [512.4206]
_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  0.0000  0.0000  0.5000  1
  Ti  Ti1  4  0.1666  0.5000  0.8340  1
  Te  Te2  4  0.0281  0.0000  0.8073  1
  Te  Te3  4  0.1412  0.5000  0.5291  1
  Te  Te4  4  0.1949  0.5000  0.1382  1
]