data_MgMnCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   4.11
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMnCd2
_chemical_formula_sum   'Mg1 Mn1 Cd2'
_cell_volume   77.66
_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
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Mn  Mn3  1  0.96  0.0  0.07  1.0
  Cd  Cd0  1  0.48  0.05  0.52  1.0
  Cd  Cd1  1  0.52  0.05  0.61  1.0

data_MgMnCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.11
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMnCd2
_chemical_formula_sum   'Mg1 Mn1 Cd2'
_cell_volume   77.66
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.96  0.0  0.07  1.0
  Cd  Cd2  1  0.48  0.05  0.52  1.0
  Cd  Cd3  1  0.52  0.05  0.61  1.0

Mg Mn Cd Cd