data_[Sr4Hf2As4]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.6442]
_cell_length_b [7.6442]
_cell_length_c [4.5183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Sr2HfAs2]
_chemical_formula_sum '[Sr4 Hf2 As4]'
_cell_volume [264.0261]
_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  4  0.1494  0.6494  0.5000  1
  Hf  Hf1  2  0.0000  0.0000  0.0000  1
  As  As2  4  0.1668  0.3332  0.0000  1
]