data_Sc2TcRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   2.96
_cell_angle_alpha   102.15
_cell_angle_beta   102.15
_cell_angle_gamma   106.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TcRh
_chemical_formula_sum   'Sc2 Tc1 Rh1'
_cell_volume   68.57
_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  Sc1  1  0.99  0.96  0.38  1.0
  Sc  Sc2  1  0.99  0.04  0.38  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Rh  Rh0  1  0.03  0.0  0.0  1.0

data_Sc2TcRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   106.94
_cell_angle_beta   102.15
_cell_angle_gamma   102.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TcRh
_chemical_formula_sum   'Sc2 Tc1 Rh1'
_cell_volume   68.57
_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  0.38  0.99  0.04  1.0
  Sc  Sc1  1  0.38  0.99  0.96  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  -0.0  0.03  0.0  1.0

Sc Sc Tc Rh