data_[Sc12Pa4Co8]
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
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.5737]
_cell_length_b [9.4660]
_cell_length_c [5.6805]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sc3PaCo2]
_chemical_formula_sum '[Sc12 Pa4 Co8]'
_cell_volume [461.0190]
_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  0.1794  0.2495  0.7500  1
  Sc  Sc1  4  0.0000  0.0696  0.2500  1
  Pa  Pa2  4  0.0000  0.4222  0.2500  1
  Co  Co3  8  0.2334  0.5000  0.0000  1
]