data_[Hf4Mn2In5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Mn  1.5500  1.4000  0.6483
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5578]
_cell_length_b [3.2725]
_cell_length_c [9.1765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6786]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Hf4Mn2In5]
_chemical_formula_sum '[Hf4 Mn2 In5]'
_cell_volume [226.2048]
_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  2  0.1856  0.5000  0.8395  1.0
  Hf  Hf1  2  0.1946  0.5000  0.4376  1.0
  Mn  Mn2  2  0.0778  0.0000  0.6344  1.0
  In  In3  2  0.1519  0.0000  0.1381  1.0
  In  In4  2  0.4586  0.0000  0.6637  1.0
  In  In5  1  0.5000  0.0000  0.0000  1.0
]