data_[Be4Re2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [2.7241]
_cell_length_b [6.5666]
_cell_length_c [20.0980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [94.1461]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Be2ReN3]
_chemical_formula_sum '[Be4 Re2 N6]'
_cell_volume [358.5675]
_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
[
  Be  Be0  1  0.0363  0.1850  0.6221  1
  Be  Be1  1  0.0707  0.4602  0.6179  1
  Be  Be2  1  0.2255  0.6004  0.3908  1
  Be  Be3  1  0.9308  0.9477  0.3843  1
  Re  Re4  1  0.1079  0.3144  0.4680  1
  Re  Re5  1  0.5146  0.9314  0.4922  1
  N  N6  1  0.0458  0.0968  0.5445  1
  N  N7  1  0.0491  0.5281  0.5357  1
  N  N8  1  0.4115  0.8413  0.3839  1
  N  N9  1  0.5549  0.3277  0.6376  1
  N  N10  1  0.6582  0.4450  0.4060  1
  N  N11  1  0.9981  0.7186  0.5169  1
]