data_[Sc4Ga3Rh1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ga  1.8100  1.3000  0.7600
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.4322]
_cell_length_b [4.2839]
_cell_length_c [10.5234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sc4Ga3Rh]
_chemical_formula_sum '[Sc4 Ga3 Rh1]'
_cell_volume [154.7276]
_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  0.0000  0.0000  0.1430  1.0
  Sc  Sc1  1  0.0000  0.5000  0.8647  1.0
  Sc  Sc2  1  0.5000  0.0000  0.6554  1.0
  Sc  Sc3  1  0.5000  0.5000  0.3356  1.0
  Ga  Ga4  1  0.0000  0.0000  0.4236  1.0
  Ga  Ga5  1  0.0000  0.5000  0.5765  1.0
  Ga  Ga6  1  0.5000  0.0000  0.9209  1.0
  Rh  Rh7  1  0.5000  0.5000  0.0803  1.0
]