data_MnCdB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   32.96
_cell_angle_beta   32.96
_cell_angle_gamma   32.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCdB2
_chemical_formula_sum   'Mn1 Cd1 B2'
_cell_volume   46.4
_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
  Mn  Mn3  1  0.0  0.0  0.76  1.0
  Cd  Cd2  1  0.0  0.0  0.85  1.0
  B  B0  1  0.0  0.0  0.32  1.0
  B  B1  1  0.0  0.0  0.9  1.0

data_MnCdB2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.51
_cell_length_b   3.18
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   109.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnCdB2
_chemical_formula_sum   'Mn2 Cd2 B4'
_cell_volume   92.8
_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
  Mn  Mn0  2  0.0  0.0  0.24  1.0
  Cd  Cd1  2  0.0  0.0  0.15  1.0
  B  B2  2  0.0  0.0  0.1  1.0
  B  B3  2  0.0  0.0  0.68  1.0

Mn Cd B B
Mn Cd B B 0 1 o o o 0 2 o o + 0 2 o o o 1 3 o o o 1 2 o o + 1 2 o o o 2 2 o + - 2 2 + - o 2 2 + o - 2 3 o o - 