data_MnRe2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.68
_cell_length_b   2.68
_cell_length_c   8.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnRe2Ru
_chemical_formula_sum   'Mn1 Re2 Ru1'
_cell_volume   57.43
_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  0.13  1.0
  Re  Re1  1  0.52  0.0  0.08  1.0
  Re  Re2  1  0.0  0.0  0.39  1.0
  Ru  Ru3  1  0.52  0.0  0.2  1.0

data_MnRe2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   2.68
_cell_length_c   8.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnRe2Ru
_chemical_formula_sum   'Mn1 Re2 Ru1'
_cell_volume   57.43
_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  0.13  1.0
  Re  Re1  1  0.0  0.0  0.39  1.0
  Re  Re2  1  0.52  0.0  0.08  1.0
  Ru  Ru3  1  0.52  0.0  0.2  1.0

Mn Re Re Ru
Mn Re Re Ru 0 1 - o o 0 1 o o o 0 3 - o o 0 3 o o o 0 2 o o o 1 3 o o o 2 3 - o o 2 3 o o o 