data_ZrSc2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.79
_cell_angle_alpha   146.19
_cell_angle_beta   130.61
_cell_angle_gamma   61.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc2Rh
_chemical_formula_sum   'Zr1 Sc2 Rh1'
_cell_volume   81.28
_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  0.0  1.0
  Sc  Sc1  1  0.0  0.42  0.12  1.0
  Sc  Sc2  1  0.68  0.0  0.86  1.0
  Rh  Rh0  1  0.0  0.0  0.99  1.0

data_ZrSc2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.84
_cell_length_c   5.79
_cell_angle_alpha   114.7
_cell_angle_beta   106.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc2Rh
_chemical_formula_sum   'Zr1 Sc2 Rh1'
_cell_volume   81.28
_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  Zr0  1  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.0  0.86  0.18  1.0
  Sc  Sc2  1  0.58  0.7  0.7  1.0
  Rh  Rh3  1  0.0  0.99  0.99  1.0

Zr Sc Sc Rh