data_TaNiPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   5.91
_cell_angle_alpha   152.32
_cell_angle_beta   152.32
_cell_angle_gamma   39.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNiPt
_chemical_formula_sum   'Ta1 Ni1 Pt1'
_cell_volume   44.43
_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  Ta2  1  0.0  0.0  0.33  1.0
  Ni  Ni0  1  0.0  0.0  0.02  1.0
  Pt  Pt1  1  0.0  0.0  0.77  1.0

data_TaNiPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.0
_cell_length_b   4.0
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   109.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaNiPt
_chemical_formula_sum   'Ta2 Ni2 Pt2'
_cell_volume   88.87
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.67  1.0
  Ni  Ni1  2  0.0  0.0  0.98  1.0
  Pt  Pt2  2  0.0  0.0  0.23  1.0

Ta Ni Pt
Ta Ni Pt 0 1 o o o 1 2 o o - 