data_[Pr6Si2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.5372]
_cell_length_b [6.7159]
_cell_length_c [5.5401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Pr3SiN4]
_chemical_formula_sum '[Pr6 Si2 N8]'
_cell_volume [280.4342]
_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
[
  Pr  Pr0  4  0.2483  0.6638  0.0275  1
  Pr  Pr1  2  0.0000  0.8562  0.5261  1
  Si  Si2  2  0.0000  0.1694  0.9997  1
  N  N3  4  0.1993  0.2958  0.0894  1
  N  N4  2  0.0000  0.1752  0.6790  1
  N  N5  2  0.0000  0.9063  0.0768  1
]