data_CuRu2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   133.76
_cell_angle_beta   133.76
_cell_angle_gamma   67.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuRu2Pt
_chemical_formula_sum   'Cu1 Ru2 Pt1'
_cell_volume   55.78
_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  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.87  0.98  1.0
  Ru  Ru3  1  0.87  0.0  0.98  1.0
  Pt  Pt1  1  0.0  0.0  0.97  1.0

data_CuRu2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   123.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuRu2Pt
_chemical_formula_sum   'Cu2 Ru4 Pt2'
_cell_volume   111.56
_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  0.0  1.0
  Ru  Ru1  4  0.45  0.44  0.89  1.0
  Pt  Pt2  2  0.03  0.0  0.03  1.0

Cu Ru Ru Pt