data_[Ho4Re2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  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 [5.8275]
_cell_length_b [5.8465]
_cell_length_c [6.4385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5058]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ho2ReN4]
_chemical_formula_sum '[Ho4 Re2 N8]'
_cell_volume [209.2042]
_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
[
  Ho  Ho0  2  0.2671  0.2500  0.4432  1
  Ho  Ho1  2  0.3329  0.2500  0.9652  1
  Re  Re2  2  0.2071  0.7500  0.1865  1
  N  N3  4  0.4534  0.5160  0.2447  1
  N  N4  2  0.0131  0.7500  0.3616  1
  N  N5  2  0.0240  0.7500  0.9056  1
]