data_[Sc20P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.2089]
_cell_length_b [5.7098]
_cell_length_c [6.9705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0626]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc5P2]
_chemical_formula_sum '[Sc20 P8]'
_cell_volume [561.2243]
_cell_formula_units_Z [4]
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  8  0.0899  0.1144  0.4213  1.0
  Sc  Sc1  8  0.2272  0.4236  0.8245  1.0
  Sc  Sc2  4  0.0000  0.3816  0.7500  1.0
  P  P3  8  0.1063  0.3161  0.0842  1.0
]