data_TaV2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   2.7
_cell_angle_alpha   100.46
_cell_angle_beta   100.46
_cell_angle_gamma   116.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaV2Pt
_chemical_formula_sum   'Ta1 V2 Pt1'
_cell_volume   60.53
_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  0.0  1.0
  V  V2  1  0.89  0.2  0.27  1.0
  V  V3  1  0.89  0.8  0.27  1.0
  Pt  Pt0  1  0.71  0.0  0.0  1.0

data_TaV2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   5.16
_cell_length_c   5.17
_cell_angle_alpha   117.23
_cell_angle_beta   100.46
_cell_angle_gamma   99.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaV2Pt
_chemical_formula_sum   'Ta1 V2 Pt1'
_cell_volume   60.53
_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  0.0  0.0  0.0  1.0
  V  V1  1  0.07  0.8  0.69  1.0
  V  V2  1  0.47  0.2  0.09  1.0
  Pt  Pt3  1  0.0  0.0  0.71  1.0

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