data_[Sc5Pa1Rh6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Pa  1.5000  1.8000  1.0400
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.6078]
_cell_length_b [6.7002]
_cell_length_c [7.1861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2290]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sc5PaRh6]
_chemical_formula_sum '[Sc5 Pa1 Rh6]'
_cell_volume [211.9023]
_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  2  0.3276  0.0000  0.6546  1
  Sc  Sc1  2  0.3302  0.5000  0.6632  1
  Sc  Sc2  1  0.0000  0.5000  0.0000  1
  Pa  Pa3  1  0.0000  0.0000  0.0000  1
  Rh  Rh4  4  0.1673  0.2510  0.3274  1
  Rh  Rh5  2  0.5000  0.2511  0.0000  1
]