data_Sc2CrRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   4.46
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   104.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CrRh
_chemical_formula_sum   'Sc2 Cr1 Rh1'
_cell_volume   68.74
_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  0.74  0.0  0.97  1.0
  Sc  Sc3  1  0.86  0.23  0.49  1.0
  Cr  Cr0  1  0.59  0.0  0.58  1.0
  Rh  Rh1  1  0.94  0.23  0.88  1.0

data_Sc2CrRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.46
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   104.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CrRh
_chemical_formula_sum   'Sc2 Cr1 Rh1'
_cell_volume   68.74
_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  0.74  0.0  0.97  1.0
  Sc  Sc1  1  0.86  0.23  0.49  1.0
  Cr  Cr2  1  0.59  0.0  0.58  1.0
  Rh  Rh3  1  0.94  0.23  0.88  1.0

Sc Sc Cr Rh
Sc Sc Cr Rh 0 3 o o o 1 2 o o o 