data_[Ta3V7Si6]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.2994]
_cell_length_b [7.2994]
_cell_length_c [4.8949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Ta3V7Si6]
_chemical_formula_sum '[Ta3 V7 Si6]'
_cell_volume [225.8647]
_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  3  0.0000  0.7709  0.0000  1.0
  V  V1  4  0.3333  0.6667  0.2534  1.0
  V  V2  3  0.0000  0.2637  0.5000  1.0
  Si  Si3  3  0.0000  0.4084  0.0000  1.0
  Si  Si4  3  0.0000  0.6103  0.5000  1.0
]