data_Mn8In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.74
_cell_angle_alpha   95.67
_cell_angle_beta   95.67
_cell_angle_gamma   143.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn8In
_chemical_formula_sum   'Mn8 In1'
_cell_volume   106.95
_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  Mn1  1  0.43  0.57  0.8  1.0
  Mn  Mn2  1  0.57  0.43  0.8  1.0
  Mn  Mn3  1  0.69  0.0  0.0  1.0
  Mn  Mn4  1  0.43  0.43  0.8  1.0
  Mn  Mn5  1  0.0  0.69  0.0  1.0
  Mn  Mn6  1  0.42  0.42  0.0  1.0
  Mn  Mn7  1  0.01  0.0  0.0  1.0
  Mn  Mn8  1  0.0  0.01  0.0  1.0
  In  In0  1  0.0  0.0  0.0  1.0

data_Mn8In
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.61
_cell_length_b   10.89
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   108.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn8In
_chemical_formula_sum   'Mn16 In2'
_cell_volume   213.89
_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  0.0  0.43  0.2  1.0
  Mn  Mn1  4  0.16  0.16  0.0  1.0
  Mn  Mn2  4  0.49  0.49  0.0  1.0
  Mn  Mn3  2  0.07  0.5  0.2  1.0
  Mn  Mn4  2  0.08  0.5  -0.0  1.0
  In  In5  2  0.0  0.0  0.0  1.0

Mn Mn Mn Mn Mn Mn Mn Mn In