data_MnZn2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.33
_cell_length_b   9.33
_cell_length_c   9.33
_cell_angle_alpha   18.53
_cell_angle_beta   18.53
_cell_angle_gamma   18.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZn2In
_chemical_formula_sum   'Mn1 Zn2 In1'
_cell_volume   71.53
_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  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.0  0.0  0.15  1.0
  Zn  Zn3  1  0.0  0.0  0.34  1.0
  In  In0  1  0.0  0.0  0.74  1.0

data_MnZn2In
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.2
_cell_length_b   3.0
_cell_length_c   9.33
_cell_angle_alpha   90.0
_cell_angle_beta   100.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnZn2In
_chemical_formula_sum   'Mn2 Zn4 In2'
_cell_volume   143.07
_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  2  0.0  0.0  0.0  1.0
  Zn  Zn1  2  0.0  0.0  0.66  1.0
  Zn  Zn2  2  0.0  0.0  0.85  1.0
  In  In3  2  -0.0  0.0  0.26  1.0

Mn Zn Zn In