data_[Sr6Sc2Pa4P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sc  1.3600  1.6000  0.8850
  Pa  1.5000  1.8000  1.0400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0769]
_cell_length_b [12.2560]
_cell_length_c [7.2984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8456]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3Sc(PaP3)2]
_chemical_formula_sum '[Sr6 Sc2 Pa4 P12]'
_cell_volume [599.0815]
_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
[
  Sr  Sr0  4  0.0000  0.1661  0.5000  1
  Sr  Sr1  2  0.0000  0.5000  0.5000  1
  Sc  Sc2  2  0.0000  0.0000  0.0000  1
  Pa  Pa3  4  0.0000  0.3332  0.0000  1
  P  P4  8  0.2372  0.1665  0.2121  1
  P  P5  4  0.2377  0.5000  0.2125  1
]