data_Mn2AlRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   2.6
_cell_angle_alpha   96.31
_cell_angle_beta   96.31
_cell_angle_gamma   119.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2AlRh
_chemical_formula_sum   'Mn2 Al1 Rh1'
_cell_volume   49.95
_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  0.92  0.96  0.27  1.0
  Mn  Mn2  1  0.92  0.04  0.27  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.41  0.0  0.0  1.0

data_Mn2AlRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.6
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   119.03
_cell_angle_beta   96.31
_cell_angle_gamma   96.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2AlRh
_chemical_formula_sum   'Mn2 Al1 Rh1'
_cell_volume   49.95
_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  0.27  0.92  0.04  1.0
  Mn  Mn1  1  0.27  0.92  0.96  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.41  0.0  1.0

Mn Mn Al Rh
Mn Mn Al Rh 0 1 o + o 0 2 + + o 0 3 + + o 0 3 o + o 1 2 + o o 1 3 + o o 1 3 o o o 2 3 o o o 3 3 o o + 