data_[Be8Cu4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Cu  1.9000  1.3500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2766]
_cell_length_b [2.6245]
_cell_length_c [5.4735]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0005]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Be2CuN]
_chemical_formula_sum '[Be8 Cu4 N4]'
_cell_volume [141.9062]
_cell_formula_units_Z [4]
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  4  0.0550  0.5000  0.2468  1
  Be  Be1  4  0.1960  0.5000  0.6016  1
  Cu  Cu2  4  0.1427  0.0000  0.9556  1
  N  N3  4  0.1333  0.0000  0.4048  1
]