data_[Ga2C2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  C  2.5500  0.7000  0.3000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.9920]
_cell_length_b [2.6040]
_cell_length_c [6.2543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2850]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [GaCF]
_chemical_formula_sum '[Ga2 C2 F2]'
_cell_volume [79.7306]
_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
[
  Ga  Ga0  2  0.1801  0.2500  0.3886  1
  C  C1  2  0.0168  0.2500  0.0399  1
  F  F2  2  0.4414  0.7500  0.6616  1
]