data_MnCd2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.16
_cell_length_b   10.16
_cell_length_c   10.16
_cell_angle_alpha   18.66
_cell_angle_beta   18.66
_cell_angle_gamma   18.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCd2Bi
_chemical_formula_sum   'Mn1 Cd2 Bi1'
_cell_volume   93.77
_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  0.0  1.0
  Cd  Cd1  1  0.0  0.0  0.12  1.0
  Cd  Cd2  1  0.0  0.0  0.82  1.0
  Bi  Bi0  1  0.0  0.0  0.97  1.0

data_MnCd2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.71
_cell_length_b   3.29
_cell_length_c   10.16
_cell_angle_alpha   90.0
_cell_angle_beta   100.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnCd2Bi
_chemical_formula_sum   'Mn2 Cd4 Bi2'
_cell_volume   187.53
_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  0.0  1.0
  Cd  Cd1  2  -0.0  0.0  0.18  1.0
  Cd  Cd2  2  0.0  0.0  0.88  1.0
  Bi  Bi3  2  -0.0  0.0  0.03  1.0

Mn Cd Cd Bi