data_LiMnCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   120.77
_cell_angle_beta   120.77
_cell_angle_gamma   88.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnCd2
_chemical_formula_sum   'Li1 Mn1 Cd2'
_cell_volume   71.43
_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
  Li  Li2  1  0.0  0.0  0.0  1.0
  Mn  Mn3  1  0.0  0.0  0.34  1.0
  Cd  Cd0  1  0.0  0.31  0.67  1.0
  Cd  Cd1  1  0.31  0.0  0.67  1.0

data_LiMnCd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.54
_cell_length_b   6.54
_cell_length_c   4.68
_cell_angle_alpha   90.0
_cell_angle_beta   134.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiMnCd2
_chemical_formula_sum   'Li2 Mn2 Cd4'
_cell_volume   142.87
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Li  Li0  2  0.0  0.0  0.0  1.0
  Mn  Mn1  2  0.0  0.0  0.34  1.0
  Cd  Cd2  4  0.34  0.34  0.36  1.0

Li Mn Cd Cd
Li Mn Cd Cd 0 1 o o o 1 2 o o o 1 3 o o o 