data_Mn2CdIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   7.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CdIn
_chemical_formula_sum   'Mn2 Cd1 In1'
_cell_volume   70.19
_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  Mn2  1  0.06  0.0  0.98  1.0
  Mn  Mn3  1  0.06  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.0  0.99  1.0

data_Mn2CdIn
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   7.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Mn2CdIn
_chemical_formula_sum   'Mn2 Cd1 In1'
_cell_volume   70.22
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.06  0.0  0.0  1.0
  Mn  Mn1  1  0.06  0.0  0.98  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0
  In  In3  1  0.0  0.0  0.99  1.0

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