data_Be2CdB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.55
_cell_length_b   2.75
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CdB
_chemical_formula_sum   'Be2 Cd1 B1'
_cell_volume   46.23
_cell_formula_units_Z   1
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  Be1  1  0.27  0.38  0.05  1.0
  Be  Be2  1  0.27  0.38  0.53  1.0
  Cd  Cd3  1  0.0  0.0  0.29  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Be2CdB
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.55
_cell_length_b   2.75
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CdB
_chemical_formula_sum   'Be2 Cd1 B1'
_cell_volume   46.23
_cell_formula_units_Z   1
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  0.27  0.38  0.05  1.0
  Be  Be1  1  0.27  0.38  0.53  1.0
  Cd  Cd2  1  0.0  0.0  0.29  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Be Be Cd B
Be Be Cd B 0 3 o o o 0 2 o o o 1 2 o o o 1 2 o + o 1 2 + o o 1 1 + o o 2 3 o o o 