data_[Ta4V4Pt8]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.5066]
_cell_length_b [6.7460]
_cell_length_c [6.7805]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [TaVPt2]
_chemical_formula_sum '[Ta4 V4 Pt8]'
_cell_volume [251.8796]
_cell_formula_units_Z [4]
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  4  0.0000  0.2500  0.5592  1.0
  V  V1  4  0.0000  0.2500  0.9649  1.0
  Pt  Pt2  8  0.2500  0.0454  0.2500  1.0
]