data_MnCdIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   4.74
_cell_angle_alpha   108.45
_cell_angle_beta   108.45
_cell_angle_gamma   26.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCdIn2
_chemical_formula_sum   'Mn1 Cd1 In2'
_cell_volume   88.7
_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  0.75  0.0  0.22  1.0
  Cd  Cd0  1  0.46  0.0  0.13  1.0
  In  In1  1  0.06  0.0  0.01  1.0
  In  In2  1  0.05  0.0  0.37  1.0

data_MnCdIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.74
_cell_length_c   6.72
_cell_angle_alpha   108.45
_cell_angle_beta   103.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCdIn2
_chemical_formula_sum   'Mn1 Cd1 In2'
_cell_volume   88.7
_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  0.22  0.75  1.0
  Cd  Cd1  1  0.0  0.13  0.46  1.0
  In  In2  1  0.0  0.01  0.06  1.0
  In  In3  1  0.0  0.37  0.05  1.0

Mn Cd In In
Mn Cd In In 0 1 o o o 0 3 + o o 2 3 o o o 