data_Ba2CuPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   6.4
_cell_length_c   6.4
_cell_angle_alpha   41.91
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CuPt
_chemical_formula_sum   'Ba2 Cu1 Pt1'
_cell_volume   126.48
_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
  Ba  Ba0  1  0.0  0.0  0.16  1.0
  Ba  Ba1  1  0.31  0.0  0.78  1.0
  Cu  Cu2  1  0.0  0.0  0.85  1.0
  Pt  Pt3  1  0.31  0.0  0.17  1.0

data_Ba2CuPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.58
_cell_length_b   4.63
_cell_length_c   6.4
_cell_angle_alpha   90.0
_cell_angle_beta   110.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CuPt
_chemical_formula_sum   'Ba2 Cu1 Pt1'
_cell_volume   126.48
_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
  Ba  Ba0  1  0.22  0.31  0.22  1.0
  Ba  Ba1  1  0.84  0.0  0.84  1.0
  Cu  Cu2  1  0.15  0.0  0.15  1.0
  Pt  Pt3  1  0.83  0.31  0.83  1.0

Ba Ba Cu Pt