data_Cu2RuPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.72
_cell_length_b   2.72
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2RuPt
_chemical_formula_sum   'Cu2 Ru1 Pt1'
_cell_volume   54.3
_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
  Cu  Cu0  1  0.36  0.36  0.06  1.0
  Cu  Cu1  1  0.0  0.0  0.74  1.0
  Ru  Ru3  1  0.0  0.0  0.58  1.0
  Pt  Pt2  1  0.36  0.36  0.65  1.0

data_Cu2RuPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cu2RuPt
_chemical_formula_sum   'Cu4 Ru2 Pt2'
_cell_volume   108.59
_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
  Cu  Cu0  2  0.0  0.0  0.74  1.0
  Cu  Cu1  2  0.36  0.0  0.06  1.0
  Ru  Ru2  2  0.0  0.0  0.58  1.0
  Pt  Pt3  2  0.36  0.0  0.65  1.0

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