data_[Zn4As2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  As  2.1800  1.1500  0.6600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [4.0429]
_cell_length_b [8.6081]
_cell_length_c [5.5723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.4857]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Zn2AsF]
_chemical_formula_sum '[Zn4 As2 F2]'
_cell_volume [147.4936]
_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
[
  Zn  Zn0  2  0.5302  0.0604  0.8082  1.0
  Zn  Zn1  2  0.6844  0.3574  0.3444  1.0
  As  As2  2  0.1628  0.1838  0.2949  1.0
  F  F3  2  0.8852  0.4607  0.7488  1.0
]