data_Li2CuPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73
_cell_length_b   3.73
_cell_length_c   3.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuPt
_chemical_formula_sum   'Li2 Cu1 Pt1'
_cell_volume   53.18
_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  0.0  0.87  0.91  1.0
  Li  Li2  1  0.87  0.0  0.91  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.87  0.87  0.0  1.0

data_Li2CuPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   3.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2CuPt
_chemical_formula_sum   'Li4 Cu2 Pt2'
_cell_volume   106.37
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.43  0.43  0.91  1.0
  Cu  Cu1  2  0.0  0.0  0.0  1.0
  Pt  Pt2  2  0.37  0.5  -0.0  1.0

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