data_[Ce6P2S2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.2525]
_cell_length_b [3.9655]
_cell_length_c [8.8205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5751]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce3PSN]
_chemical_formula_sum '[Ce6 P2 S2 N2]'
_cell_volume [284.6304]
_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
[
  Ce  Ce0  2  0.1002  0.7500  0.8542  1
  Ce  Ce1  2  0.1805  0.2500  0.5086  1
  Ce  Ce2  2  0.4053  0.2500  0.1642  1
  P  P3  2  0.1655  0.7500  0.2056  1
  S  S4  2  0.3472  0.2500  0.8403  1
  N  N5  2  0.0905  0.7500  0.5970  1
]