data_[Cs4Ga4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ga  1.8100  1.3000  0.7600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [11.3090]
_cell_length_b [10.4923]
_cell_length_c [4.2961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3639]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsGaF3]
_chemical_formula_sum '[Cs4 Ga4 F12]'
_cell_volume [507.5314]
_cell_formula_units_Z [4]
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
[
  Cs  Cs0  4  0.2095  0.0057  0.2444  1
  Ga  Ga1  2  0.0000  0.3137  0.0000  1
  Ga  Ga2  2  0.0000  0.7227  0.5000  1
  F  F3  4  0.0917  0.2091  0.7892  1
  F  F4  4  0.1035  0.8523  0.7125  1
  F  F5  4  0.1039  0.4147  0.2266  1
]