data_MnCd2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   149.09
_cell_angle_beta   128.64
_cell_angle_gamma   61.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCd2Fe
_chemical_formula_sum   'Mn1 Cd2 Fe1'
_cell_volume   67.64
_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  0.96  1.0
  Cd  Cd0  1  0.0  0.4  0.7  1.0
  Cd  Cd1  1  0.0  0.0  0.52  1.0
  Fe  Fe2  1  0.0  0.4  0.13  1.0

data_MnCd2Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.8
_cell_length_c   5.54
_cell_angle_alpha   115.68
_cell_angle_beta   105.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCd2Fe
_chemical_formula_sum   'Mn1 Cd2 Fe1'
_cell_volume   67.64
_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  0.96  0.96  1.0
  Cd  Cd1  1  0.0  0.52  0.52  1.0
  Cd  Cd2  1  0.6  0.3  0.3  1.0
  Fe  Fe3  1  0.6  0.73  0.73  1.0

Mn Cd Cd Fe