data_Mn2CdIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   128.68
_cell_angle_beta   128.68
_cell_angle_gamma   75.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CdIn
_chemical_formula_sum   'Mn2 Cd1 In1'
_cell_volume   70.31
_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  0.0  0.13  0.94  1.0
  Mn  Mn3  1  0.13  0.0  0.94  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.0  0.88  1.0

data_Mn2CdIn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   127.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn2CdIn
_chemical_formula_sum   'Mn4 Cd2 In2'
_cell_volume   140.62
_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
  Mn  Mn0  4  0.12  0.06  0.19  1.0
  Cd  Cd1  2  0.0  0.0  0.0  1.0
  In  In2  2  0.12  0.0  0.12  1.0

Mn Mn Cd In