data_[Ta4Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.8407]
_cell_length_b [20.7984]
_cell_length_c [8.6626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [TaTe]
_chemical_formula_sum '[Ta4 Te4]'
_cell_volume [872.1535]
_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  2  0.5000  0.4201  0.5183  1
  Ta  Ta1  1  0.0000  0.5000  0.5332  1
  Ta  Ta2  1  0.5000  0.5000  0.7439  1
  Te  Te3  2  0.0000  0.3606  0.4956  1
  Te  Te4  1  0.0000  0.5000  0.8755  1
  Te  Te5  1  0.5000  0.5000  0.2723  1
]