data_[Zr4As4O16F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9714]
_cell_length_b [6.8066]
_cell_length_c [6.5364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5649]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrAsO4F]
_chemical_formula_sum '[Zr4 As4 O16 F4]'
_cell_volume [380.5316]
_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
[
  Zr  Zr0  4  0.2160  0.0000  0.1175  1.0
  As  As1  4  0.1503  0.5000  0.2930  1.0
  O  O2  8  0.1977  0.3150  0.1396  1.0
  O  O3  4  0.0431  0.5000  0.7362  1.0
  O  O4  4  0.2308  0.0000  0.4529  1.0
  F  F5  4  0.0232  0.0000  0.8332  1.0
]