data_MnCd2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   4.4
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCd2Bi
_chemical_formula_sum   'Mn1 Cd2 Bi1'
_cell_volume   91.9
_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  0.7  0.2  0.73  1.0
  Cd  Cd2  1  0.7  0.2  0.39  1.0
  Bi  Bi0  1  0.0  0.0  0.06  1.0

data_MnCd2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.4
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCd2Bi
_chemical_formula_sum   'Mn1 Cd2 Bi1'
_cell_volume   91.9
_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  Mn0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.7  0.2  0.39  1.0
  Cd  Cd2  1  0.7  0.2  0.73  1.0
  Bi  Bi3  1  0.0  0.0  0.06  1.0

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