data_Ta2CuPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   7.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CuPt
_chemical_formula_sum   'Ta2 Cu1 Pt1'
_cell_volume   64.48
_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  0.12  1.0
  Ta  Ta3  1  0.98  0.0  0.79  1.0
  Cu  Cu0  1  0.0  0.0  0.89  1.0
  Pt  Pt1  1  0.98  0.0  0.1  1.0

data_Ta2CuPt
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   7.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ta2CuPt
_chemical_formula_sum   'Ta2 Cu1 Pt1'
_cell_volume   64.52
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.12  1.0
  Ta  Ta1  1  0.98  0.0  0.79  1.0
  Cu  Cu2  1  0.0  0.0  0.89  1.0
  Pt  Pt3  1  0.98  0.0  0.1  1.0

Ta Ta Cu Pt
Ta Ta Cu Pt 0 3 - o o 1 2 + o o 