data_[Cs4Ga4F16]
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/m]
_cell_length_a [7.8276]
_cell_length_b [7.7957]
_cell_length_c [7.6732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.5320]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsGaF4]
_chemical_formula_sum '[Cs4 Ga4 F16]'
_cell_volume [403.3102]
_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  0.2383  0.0000  0.4918  1.0
  Ga  Ga1  4  0.2500  0.2500  0.0000  1.0
  F  F2  8  0.1052  0.2690  0.7205  1.0
  F  F3  4  0.0000  0.2095  0.0000  1.0
  F  F4  4  0.2259  0.5000  0.0339  1.0
]