data_BeGeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.95
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGeN2
_chemical_formula_sum   'Be4 Ge4 N8'
_cell_volume   150.2
_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  1  0.01  0.21  0.83  1.0
  Be  Be1  1  0.17  0.74  0.39  1.0
  Be  Be2  1  0.76  0.23  0.39  1.0
  Be  Be3  1  0.42  0.72  0.83  1.0
  Ge  Ge4  1  0.06  0.23  0.82  1.0
  Ge  Ge5  1  0.12  0.72  0.39  1.0
  Ge  Ge6  1  0.71  0.21  0.39  1.0
  Ge  Ge7  1  0.47  0.74  0.82  1.0
  N  N8  1  0.05  0.18  0.84  1.0
  N  N9  1  0.13  0.77  0.27  1.0
  N  N10  1  0.72  0.16  0.27  1.0
  N  N11  1  0.46  0.8  0.84  1.0
  N  N12  1  0.97  0.26  0.73  1.0
  N  N13  1  0.21  0.69  0.17  1.0
  N  N14  1  0.8  0.29  0.17  1.0
  N  N15  1  0.38  0.67  0.73  1.0

data_BeGeN2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.87
_cell_length_b   5.18
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGeN2
_chemical_formula_sum   'Be4 Ge4 N8'
_cell_volume   150.2
_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  1  0.39  0.17  0.74  1.0
  Be  Be1  1  0.39  0.76  0.23  1.0
  Be  Be2  1  0.83  0.01  0.21  1.0
  Be  Be3  1  0.83  0.42  0.72  1.0
  Ge  Ge4  1  0.39  0.12  0.72  1.0
  Ge  Ge5  1  0.39  0.71  0.21  1.0
  Ge  Ge6  1  0.82  0.06  0.23  1.0
  Ge  Ge7  1  0.82  0.47  0.74  1.0
  N  N8  1  0.17  0.21  0.69  1.0
  N  N9  1  0.17  0.8  0.29  1.0
  N  N10  1  0.27  0.13  0.77  1.0
  N  N11  1  0.27  0.72  0.16  1.0
  N  N12  1  0.73  0.38  0.67  1.0
  N  N13  1  0.73  0.97  0.26  1.0
  N  N14  1  0.84  0.05  0.18  1.0
  N  N15  1  0.84  0.46  0.8  1.0

Be Be Be Be Ge Ge Ge Ge N N N N N N N N