data_[Ta4Te6]
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 [Pm]
_cell_length_a [18.6855]
_cell_length_b [4.6448]
_cell_length_c [18.6855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ta2Te3]
_chemical_formula_sum '[Ta4 Te6]'
_cell_volume [1404.4458]
_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  1  0.4182  0.5000  0.5461  1
  Ta  Ta1  1  0.5144  0.0000  0.4025  1
  Ta  Ta2  1  0.5228  0.0000  0.5698  1
  Ta  Ta3  1  0.5488  0.5000  0.5030  1
  Te  Te4  1  0.3691  0.0000  0.4322  1
  Te  Te5  1  0.3894  0.0000  0.6171  1
  Te  Te6  1  0.4083  0.5000  0.3413  1
  Te  Te7  1  0.5804  0.5000  0.3597  1
  Te  Te8  1  0.5822  0.5000  0.6749  1
  Te  Te9  1  0.6664  0.0000  0.5534  1
]