data_[Sc12P4N2]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [5.7745]
_cell_length_b [5.7745]
_cell_length_c [10.9219]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Sc6P2N]
_chemical_formula_sum '[Sc12 P4 N2]'
_cell_volume [364.1900]
_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  8  0.1923  0.8077  0.1468  1
  Sc  Sc1  4  0.2191  0.7809  0.5000  1
  P  P2  4  0.0000  0.0000  0.3300  1
  N  N3  2  0.0000  0.0000  0.0000  1
]