data_Sc2MnRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   4.47
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   103.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2MnRh
_chemical_formula_sum   'Sc2 Mn1 Rh1'
_cell_volume   71.81
_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
  Sc  Sc2  1  0.86  0.0  0.77  1.0
  Sc  Sc3  1  0.95  0.23  0.63  1.0
  Mn  Mn0  1  0.43  0.0  0.43  1.0
  Rh  Rh1  1  0.37  0.23  0.97  1.0

data_Sc2MnRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.47
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   103.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2MnRh
_chemical_formula_sum   'Sc2 Mn1 Rh1'
_cell_volume   71.81
_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
  Sc  Sc0  1  0.86  0.0  0.77  1.0
  Sc  Sc1  1  0.95  0.23  0.63  1.0
  Mn  Mn2  1  0.43  0.0  0.43  1.0
  Rh  Rh3  1  0.37  0.23  0.97  1.0

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