data_[Mg4Sc1Rh5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.1540]
_cell_length_b [3.1540]
_cell_length_c [15.5927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Mg4ScRh5]
_chemical_formula_sum '[Mg4 Sc1 Rh5]'
_cell_volume [155.1152]
_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
[
  Mg  Mg0  2  0.0000  0.0000  0.2058  1
  Mg  Mg1  2  0.0000  0.0000  0.4011  1
  Sc  Sc2  1  0.0000  0.0000  0.0000  1
  Rh  Rh3  2  0.5000  0.5000  0.1019  1
  Rh  Rh4  2  0.5000  0.5000  0.3018  1
  Rh  Rh5  1  0.5000  0.5000  0.5000  1
]