data_[Ba2Tm2Re2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [P2_1/m]
_cell_length_a [5.8829]
_cell_length_b [5.9843]
_cell_length_c [7.4282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7058]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaTmReN4]
_chemical_formula_sum '[Ba2 Tm2 Re2 N8]'
_cell_volume [250.4721]
_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
[
  Ba  Ba0  2  0.2780  0.2500  0.0692  1.0
  Tm  Tm1  2  0.1965  0.2500  0.5390  1.0
  Re  Re2  2  0.2595  0.7500  0.3379  1.0
  N  N3  4  0.0523  0.5101  0.3066  1.0
  N  N4  2  0.4518  0.7500  0.1822  1.0
  N  N5  2  0.4604  0.7500  0.5701  1.0
]