data_[Na2Ho1Hf1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ho  1.2300  1.7500  1.0410
  Hf  1.3000  1.5500  0.8500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.6147]
_cell_length_b [3.7897]
_cell_length_c [7.0752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9329]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na2HoHfS4]
_chemical_formula_sum '[Na2 Ho1 Hf1 S4]'
_cell_volume [168.7407]
_cell_formula_units_Z [1]
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
[
  Na  Na0  1  0.0000  0.5000  0.5000  1.0
  Na  Na1  1  0.5000  0.0000  0.5000  1.0
  Ho  Ho2  1  0.0000  0.0000  0.0000  1.0
  Hf  Hf3  1  0.5000  0.5000  0.0000  1.0
  S  S4  2  0.2560  0.5000  0.2269  1.0
  S  S5  2  0.2720  0.0000  0.7789  1.0
]