data_MgCdB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71
_cell_length_b   3.08
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCdB2
_chemical_formula_sum   'Mg1 Cd1 B2'
_cell_volume   59.36
_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
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.82  0.0  0.6  1.0
  B  B0  1  0.85  0.54  0.79  1.0
  B  B1  1  0.8  0.54  0.41  1.0

data_MgCdB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   3.71
_cell_length_c   5.21
_cell_angle_alpha   90.65
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCdB2
_chemical_formula_sum   'Mg1 Cd1 B2'
_cell_volume   59.36
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.18  0.4  1.0
  B  B2  1  0.46  0.15  0.21  1.0
  B  B3  1  0.46  0.2  0.59  1.0

Mg Cd B B
Mg Cd B B 0 2 - - - 0 2 - o - 0 1 - o - 1 3 o - o 1 3 o o o 1 2 o - o 1 2 o o o 2 3 o o o 