data_[Ta3V8In1]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.0614]
_cell_length_b [5.0614]
_cell_length_c [8.2958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Ta3V8In]
_chemical_formula_sum '[Ta3 V8 In1]'
_cell_volume [184.0512]
_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  0.0565  1.0
  Ta  Ta1  1  0.6667  0.3333  0.5694  1.0
  Ta  Ta2  1  0.6667  0.3333  0.9362  1.0
  V  V3  3  0.1654  0.8346  0.7537  1.0
  V  V4  3  0.5040  0.0080  0.2438  1.0
  V  V5  1  0.3333  0.6667  0.0015  1.0
  V  V6  1  0.3333  0.6667  0.5076  1.0
  In  In7  1  0.0000  0.0000  0.4362  1.0
]