data_HfMn2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   121.27
_cell_angle_beta   121.27
_cell_angle_gamma   87.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMn2In
_chemical_formula_sum   'Hf1 Mn2 In1'
_cell_volume   64.47
_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  0.26  1.0
  Mn  Mn2  1  0.22  0.0  0.63  1.0
  Mn  Mn3  1  0.0  0.22  0.63  1.0
  In  In1  1  0.0  0.0  0.0  1.0

data_HfMn2In
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.28
_cell_length_b   6.28
_cell_length_c   4.53
_cell_angle_alpha   90.0
_cell_angle_beta   133.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfMn2In
_chemical_formula_sum   'Hf2 Mn4 In2'
_cell_volume   128.95
_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  0.26  1.0
  Mn  Mn1  4  0.39  0.39  0.41  1.0
  In  In2  2  0.0  0.0  0.0  1.0

Hf Mn Mn In