data_Li2CuPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   2.73
_cell_angle_alpha   100.89
_cell_angle_beta   100.89
_cell_angle_gamma   115.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuPt
_chemical_formula_sum   'Li2 Cu1 Pt1'
_cell_volume   53.8
_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
  Li  Li1  1  0.8  0.05  0.27  1.0
  Li  Li2  1  0.8  0.95  0.27  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.57  0.0  0.0  1.0

data_Li2CuPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   115.93
_cell_angle_beta   100.89
_cell_angle_gamma   100.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuPt
_chemical_formula_sum   'Li2 Cu1 Pt1'
_cell_volume   53.8
_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
  Li  Li0  1  0.27  0.8  0.05  1.0
  Li  Li1  1  0.27  0.8  0.95  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.57  0.0  1.0

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