data_Be2CdB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   36.67
_cell_angle_beta   36.67
_cell_angle_gamma   36.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CdB
_chemical_formula_sum   'Be2 Cd1 B1'
_cell_volume   48.03
_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  0.0  0.0  0.67  1.0
  Be  Be2  1  0.0  0.0  0.19  1.0
  Cd  Cd3  1  0.0  0.0  0.43  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Be2CdB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.79
_cell_length_b   3.35
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   111.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be2CdB
_chemical_formula_sum   'Be4 Cd2 B2'
_cell_volume   96.06
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.33  1.0
  Be  Be1  2  0.0  0.0  0.81  1.0
  Cd  Cd2  2  0.0  0.0  0.57  1.0
  B  B3  2  0.0  0.0  0.0  1.0

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