data_TaV2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   142.4
_cell_angle_beta   129.48
_cell_angle_gamma   64.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaV2Pt
_chemical_formula_sum   'Ta1 V2 Pt1'
_cell_volume   60.51
_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  Ta1  1  0.0  0.0  0.19  1.0
  V  V2  1  0.0  0.16  0.07  1.0
  V  V3  1  0.0  0.0  0.33  1.0
  Pt  Pt0  1  0.0  0.16  0.25  1.0

data_TaV2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.33
_cell_length_c   5.07
_cell_angle_alpha   115.26
_cell_angle_beta   108.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaV2Pt
_chemical_formula_sum   'Ta1 V2 Pt1'
_cell_volume   60.51
_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  0.81  0.81  0.81  1.0
  V  V1  1  0.67  0.67  0.67  1.0
  V  V2  1  0.93  0.09  0.09  1.0
  Pt  Pt3  1  0.75  0.91  0.91  1.0

Ta V V Pt
Ta V V Pt 0 3 o o o 0 2 o o o 1 3 o o o 