data_[Na4Sr2Cu2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.7181]
_cell_length_b [5.7853]
_cell_length_c [10.0109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.0898]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2SrCuF6]
_chemical_formula_sum '[Na4 Sr2 Cu2 F12]'
_cell_volume [292.1594]
_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
[
  Na  Na0  4  0.2104  0.0531  0.2385  1.0
  Sr  Sr1  2  0.5000  0.0000  0.0000  1.0
  Cu  Cu2  2  0.0000  0.0000  0.5000  1.0
  F  F3  4  0.0937  0.2252  0.9246  1.0
  F  F4  4  0.1764  0.6871  0.9142  1.0
  F  F5  4  0.4094  0.1003  0.7472  1.0
]