data_[Hf2Mn8Re2]
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
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1718]
_cell_length_b [5.0222]
_cell_length_c [5.1451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.5308]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfMn4Re]
_chemical_formula_sum '[Hf2 Mn8 Re2]'
_cell_volume [178.0240]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.0000  1
  Mn  Mn1  4  0.1112  0.5000  0.8494  1
  Mn  Mn2  4  0.2500  0.2500  0.5000  1
  Re  Re3  2  0.0000  0.0000  0.5000  1
]