data_MnCdRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   2.71
_cell_length_c   9.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCdRu2
_chemical_formula_sum   'Mn1 Cd1 Ru2'
_cell_volume   59.26
_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
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.53  1.0
  Ru  Ru2  1  0.42  0.0  0.0  1.0
  Ru  Ru3  1  0.42  0.0  0.05  1.0

data_MnCdRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   2.71
_cell_length_c   9.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCdRu2
_chemical_formula_sum   'Mn1 Cd1 Ru2'
_cell_volume   59.26
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.0  0.53  1.0
  Ru  Ru2  1  0.42  0.0  0.0  1.0
  Ru  Ru3  1  0.42  0.0  0.05  1.0

Mn Cd Ru Ru
Mn Cd Ru Ru 0 3 o o o 0 2 o o o 1 1 + + o 1 1 o + o 1 1 + o o 2 3 o o o 