data_[Ta2Cu4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9940]
_cell_length_b [3.8517]
_cell_length_c [10.8179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4961]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TaCu2Te3]
_chemical_formula_sum '[Ta2 Cu4 Te6]'
_cell_volume [315.8790]
_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  0.2447  0.7500  0.7025  1
  Cu  Cu1  2  0.0321  0.7500  0.4372  1
  Cu  Cu2  2  0.4205  0.2500  0.9132  1
  Te  Te3  2  0.0767  0.2500  0.8162  1
  Te  Te4  2  0.2862  0.2500  0.5183  1
  Te  Te5  2  0.4103  0.2500  0.1614  1
]