data_Hf2MnIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.04
_cell_length_b   9.04
_cell_length_c   9.04
_cell_angle_alpha   20.47
_cell_angle_beta   20.47
_cell_angle_gamma   20.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MnIn
_chemical_formula_sum   'Hf2 Mn1 In1'
_cell_volume   79.13
_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
  Hf  Hf0  1  0.0  0.0  0.53  1.0
  Hf  Hf1  1  0.0  0.0  0.02  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0
  In  In2  1  0.0  0.0  0.27  1.0

data_Hf2MnIn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.57
_cell_length_b   3.21
_cell_length_c   9.04
_cell_angle_alpha   90.0
_cell_angle_beta   101.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2MnIn
_chemical_formula_sum   'Hf4 Mn2 In2'
_cell_volume   158.25
_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
  Hf  Hf0  2  0.0  0.0  0.47  1.0
  Hf  Hf1  2  0.0  0.0  0.98  1.0
  Mn  Mn2  2  0.0  0.0  0.0  1.0
  In  In3  2  0.0  0.0  0.73  1.0

Hf Hf Mn In
Hf Hf Mn In 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o o 