data_MnCd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   5.81
_cell_angle_alpha   149.68
_cell_angle_beta   64.08
_cell_angle_gamma   125.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCd3
_chemical_formula_sum   'Mn1 Cd3'
_cell_volume   80.11
_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  0.77  1.0
  Cd  Cd0  1  0.52  0.35  0.65  1.0
  Cd  Cd1  1  0.0  0.92  0.86  1.0
  Cd  Cd2  1  0.52  0.65  0.65  1.0

data_MnCd3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   5.36
_cell_length_c   5.81
_cell_angle_alpha   117.49
_cell_angle_beta   105.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCd3
_chemical_formula_sum   'Mn1 Cd3'
_cell_volume   80.11
_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  0.77  0.77  0.77  1.0
  Cd  Cd1  1  0.65  0.01  0.52  1.0
  Cd  Cd2  1  0.65  0.3  0.82  1.0
  Cd  Cd3  1  0.86  0.94  0.94  1.0

Mn Cd Cd Cd