data_[Ta2Ti2Te10]
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 [Pmma]
_cell_length_a [15.8700]
_cell_length_b [3.6687]
_cell_length_c [19.3481]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [TaTiTe5]
_chemical_formula_sum '[Ta2 Ti2 Te10]'
_cell_volume [1126.4766]
_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  0.2500  0.0000  0.5018  1
  Ti  Ti1  2  0.0000  0.5000  0.5000  1
  Te  Te2  4  0.0760  0.0000  0.5863  1
  Te  Te3  4  0.1473  0.5000  0.4222  1
  Te  Te4  2  0.2500  0.5000  0.6124  1
]