data_ZrSiO2F
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   4.01
_cell_length_b   4.01
_cell_length_c   4.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   ZrSiO2F
_chemical_formula_sum   'Zr1 Si1 O2 F1'
_cell_volume   64.45
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  '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  1  0.0  0.0  0.13  1.0
  Si  Si1  1  0.5  0.5  0.56  1.0
  O  O2  1  0.5  0.0  0.42  1.0
  O  O3  1  0.5  0.5  0.98  1.0
  F  F4  1  0.0  0.5  0.37  1.0

Zr Si O O F
data_ZrSiO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01
_cell_length_b   4.01
_cell_length_c   4.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSiO2F
_chemical_formula_sum   'Zr1 Si1 O2 F1'
_cell_volume   64.45
_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
  Zr  Zr0  1  0.13  0.0  0.0  1.0
  Si  Si1  1  0.56  0.5  0.5  1.0
  O  O3  1  0.42  0.5  0.0  1.0
  O  O4  1  0.98  0.5  0.5  1.0
  F  F2  1  0.37  0.0  0.5  1.0
