data_[Hf8Ti8Mn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ti  1.5400  1.4000  0.8517
  Mn  1.5500  1.4000  0.6483
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.5561]
_cell_length_b [5.2852]
_cell_length_c [8.6268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [HfTiMn]
_chemical_formula_sum '[Hf8 Ti8 Mn8]'
_cell_volume [390.1115]
_cell_formula_units_Z [8]
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  4  0.1730  0.0000  0.3343  1.0
  Hf  Hf1  4  0.2955  0.0000  0.6676  1.0
  Ti  Ti2  4  0.2331  0.0000  0.0050  1.0
  Ti  Ti3  4  0.5000  0.2411  0.4127  1.0
  Mn  Mn4  4  0.0000  0.2390  0.5881  1.0
  Mn  Mn5  2  0.0000  0.0000  0.8264  1.0
  Mn  Mn6  2  0.5000  0.0000  0.1581  1.0
]