data_TaCuPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   133.92
_cell_angle_beta   133.92
_cell_angle_gamma   67.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCuPt2
_chemical_formula_sum   'Ta1 Cu1 Pt2'
_cell_volume   61.09
_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  Ta3  1  0.93  0.0  0.05  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.93  0.05  1.0
  Pt  Pt2  1  0.0  0.0  0.11  1.0

data_TaCuPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   4.93
_cell_angle_alpha   113.04
_cell_angle_beta   113.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCuPt2
_chemical_formula_sum   'Ta1 Cu1 Pt2'
_cell_volume   61.09
_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  0.95  0.0  0.88  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.88  0.93  0.88  1.0
  Pt  Pt3  1  0.89  0.0  0.89  1.0

Ta Cu Pt Pt