data_MnReRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.61
_cell_angle_alpha   99.85
_cell_angle_beta   99.85
_cell_angle_gamma   33.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnReRh2
_chemical_formula_sum   'Mn1 Re1 Rh2'
_cell_volume   54.32
_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
  Re  Re1  1  0.05  0.0  0.27  1.0
  Rh  Rh2  1  0.64  0.0  0.43  1.0
  Rh  Rh3  1  0.46  0.0  0.11  1.0

data_MnReRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.61
_cell_length_c   4.66
_cell_angle_alpha   99.85
_cell_angle_beta   106.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnReRh2
_chemical_formula_sum   'Mn1 Re1 Rh2'
_cell_volume   54.32
_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
  Re  Re1  1  0.0  0.27  0.05  1.0
  Rh  Rh2  1  0.0  0.11  0.46  1.0
  Rh  Rh3  1  0.0  0.43  0.64  1.0

Mn Re Rh Rh
Mn Re Rh Rh 0 1 o o o 2 3 o o o 