data_[Ta1V1Cu6Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [8.0135]
_cell_length_b [8.0135]
_cell_length_c [5.6716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [TaV(Cu3Se4)2]
_chemical_formula_sum '[Ta1 V1 Cu6 Se8]'
_cell_volume [364.2091]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.0000  1.0
  V  V1  1  0.5000  0.5000  0.0000  1.0
  Cu  Cu2  4  0.2525  0.2525  0.0000  1.0
  Cu  Cu3  1  0.0000  0.0000  0.5000  1.0
  Cu  Cu4  1  0.5000  0.5000  0.5000  1.0
  Se  Se5  4  0.0000  0.2507  0.7504  1.0
  Se  Se6  4  0.2597  0.5000  0.2415  1.0
]