data_[Hf4Zr4Mn4Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  Mn  1.5500  1.4000  0.6483
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8855]
_cell_length_b [3.8928]
_cell_length_c [9.4934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.2663]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfZrMnSi2]
_chemical_formula_sum '[Hf4 Zr4 Mn4 Si8]'
_cell_volume [321.7607]
_cell_formula_units_Z [4]
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  0.0005  0.0000  0.8272  1
  Zr  Zr1  4  0.1897  0.0000  0.6047  1
  Mn  Mn2  4  0.2229  0.5000  0.8717  1
  Si  Si3  4  0.0114  0.5000  0.3763  1
  Si  Si4  4  0.1441  0.5000  0.0683  1
]