data_[Ce2Tm2S4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.8777]
_cell_length_b [3.8777]
_cell_length_c [13.7781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [CeTmS2N]
_chemical_formula_sum '[Ce2 Tm2 S4 N2]'
_cell_volume [207.1801]
_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  0.0000  0.5000  0.4140  1.0
  Tm  Tm1  2  0.0000  0.5000  0.8794  1.0
  S  S2  2  0.0000  0.5000  0.0901  1.0
  S  S3  2  0.0000  0.5000  0.7002  1.0
  N  N4  2  0.0000  0.0000  0.5000  1.0
]