data_[Sr2Zn4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Zn  1.6500  1.3500  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4469]
_cell_length_b [4.0666]
_cell_length_c [7.4816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.6951]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrZn2F6]
_chemical_formula_sum '[Sr2 Zn4 F12]'
_cell_volume [276.1022]
_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
[
  Sr  Sr0  2  0.0000  0.0000  0.5000  1
  Zn  Zn1  4  0.1729  0.0000  0.0947  1
  F  F2  4  0.0180  0.0000  0.1856  1
  F  F3  4  0.1560  0.5000  0.6198  1
  F  F4  4  0.2168  0.5000  0.0869  1
]