data_[Sc1Mo1Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Mo  2.1600  1.4500  0.7750
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.8941]
_cell_length_b [4.5438]
_cell_length_c [4.9116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4318]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ScMoRh2]
_chemical_formula_sum '[Sc1 Mo1 Rh2]'
_cell_volume [63.8900]
_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  0.4651  0.0000  0.4237  1
  Mo  Mo1  1  0.2672  0.5000  0.8208  1
  Rh  Rh2  1  0.8430  0.0000  0.9433  1
  Rh  Rh3  1  0.9248  0.5000  0.3121  1
]