data_[Zn2H2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [2.9032]
_cell_length_b [4.1869]
_cell_length_c [6.3188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1682]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZnHF]
_chemical_formula_sum '[Zn2 H2 F2]'
_cell_volume [75.0819]
_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  0.3984  0.7500  0.7950  1
  H  H1  2  0.1628  0.2500  0.3392  1
  F  F2  2  0.4322  0.2500  0.8761  1
]