data_MnCd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   4.39
_cell_length_c   6.09
_cell_angle_alpha   90.0
_cell_angle_beta   97.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCd3
_chemical_formula_sum   'Mn1 Cd3'
_cell_volume   79.02
_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  Cd0  1  0.37  0.2  0.42  1.0
  Cd  Cd1  1  0.84  0.2  0.62  1.0
  Cd  Cd2  1  0.62  0.0  0.02  1.0

data_MnCd3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.39
_cell_length_c   6.09
_cell_angle_alpha   90.0
_cell_angle_beta   97.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCd3
_chemical_formula_sum   'Mn1 Cd3'
_cell_volume   79.02
_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  0.37  0.2  0.42  1.0
  Cd  Cd2  1  0.62  0.0  0.02  1.0
  Cd  Cd3  1  0.84  0.2  0.62  1.0

Mn Cd Cd Cd