data_[Sc10Pa2]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.9128]
_cell_length_b [3.2630]
_cell_length_c [7.7740]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3533]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sc5Pa]
_chemical_formula_sum '[Sc10 Pa2]'
_cell_volume [292.7501]
_cell_formula_units_Z [2]
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  0.0035  0.0000  0.0003  1
  Sc  Sc1  2  0.0609  0.0000  0.6202  1
  Sc  Sc2  2  0.1620  0.5000  0.3321  1
  Sc  Sc3  2  0.3337  0.0000  0.6659  1
  Sc  Sc4  2  0.3841  0.0000  0.2736  1
  Pa  Pa5  2  0.2224  0.5000  0.9412  1
]