data_[Ba2Ho2Re2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [5.9285]
_cell_length_b [5.9905]
_cell_length_c [7.4395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6982]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaHoReN4]
_chemical_formula_sum '[Ba2 Ho2 Re2 N8]'
_cell_volume [253.0694]
_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  0.2795  0.2500  0.0700  1.0
  Ho  Ho1  2  0.1990  0.2500  0.5404  1.0
  Re  Re2  2  0.2577  0.7500  0.3360  1.0
  N  N3  4  0.0528  0.5099  0.3039  1.0
  N  N4  2  0.4488  0.7500  0.1807  1.0
  N  N5  2  0.4556  0.7500  0.5689  1.0
]