data_[Sr2Hf4Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Hf  1.3000  1.5500  0.8500
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.8503]
_cell_length_b [7.8503]
_cell_length_c [3.5776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Sr(HfGe)2]
_chemical_formula_sum '[Sr2 Hf4 Ge4]'
_cell_volume [220.4740]
_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
[
  Sr  Sr0  2  0.0000  0.0000  0.0000  1
  Hf  Hf1  4  0.1536  0.6536  0.5000  1
  Ge  Ge2  4  0.1363  0.3637  0.0000  1
]