data_[Cs16Tm8Re8N32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tm  1.2500  1.7500  1.0950
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.8090]
_cell_length_b [13.2480]
_cell_length_c [23.8220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Cs2TmReN4]
_chemical_formula_sum '[Cs16 Tm8 Re8 N32]'
_cell_volume [1833.2979]
_cell_formula_units_Z [8]
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
[
  Cs  Cs0  16  0.0000  0.0000  0.1771  1
  Tm  Tm1  8  0.0000  0.0000  0.0000  1
  Re  Re2  8  0.0000  0.0000  0.5000  1
  N  N3  32  0.0431  0.1734  0.7096  1
]