data_ZrSc2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   3.3
_cell_length_c   7.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc2Rh
_chemical_formula_sum   'Zr1 Sc2 Rh1'
_cell_volume   83.7
_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
  Zr  Zr3  1  0.0  0.0  0.57  1.0
  Sc  Sc1  1  0.0  0.0  0.41  1.0
  Sc  Sc2  1  0.3  0.0  0.63  1.0
  Rh  Rh0  1  0.3  0.0  0.89  1.0

data_ZrSc2Rh
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.3
_cell_length_b   3.3
_cell_length_c   7.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ZrSc2Rh
_chemical_formula_sum   'Zr1 Sc2 Rh1'
_cell_volume   83.74
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Zr  Zr0  1  0.0  0.0  0.57  1.0
  Sc  Sc1  1  0.0  0.0  0.41  1.0
  Sc  Sc2  1  0.3  0.0  0.63  1.0
  Rh  Rh3  1  0.3  0.0  0.89  1.0

Zr Sc Sc Rh