data_CaTaPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   4.98
_cell_angle_alpha   100.86
_cell_angle_beta   100.86
_cell_angle_gamma   30.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTaPt2
_chemical_formula_sum   'Ca1 Ta1 Pt2'
_cell_volume   73.51
_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
  Ca  Ca0  1  0.97  0.0  0.97  1.0
  Ta  Ta3  1  0.57  0.0  0.1  1.0
  Pt  Pt1  1  0.25  0.0  0.64  1.0
  Pt  Pt2  1  0.48  0.0  0.51  1.0

data_CaTaPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.98
_cell_length_c   5.43
_cell_angle_alpha   100.86
_cell_angle_beta   105.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTaPt2
_chemical_formula_sum   'Ca1 Ta1 Pt2'
_cell_volume   73.51
_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
  Ca  Ca0  1  0.0  0.97  0.97  1.0
  Ta  Ta1  1  0.0  0.1  0.57  1.0
  Pt  Pt2  1  0.0  0.51  0.48  1.0
  Pt  Pt3  1  0.0  0.64  0.25  1.0

Ca Ta Pt Pt