data_[Ca2In1Ga1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.1085]
_cell_length_b [7.3784]
_cell_length_c [5.1672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9625]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ca2InGaF8]
_chemical_formula_sum '[Ca2 In1 Ga1 F8]'
_cell_volume [194.7392]
_cell_formula_units_Z [1]
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
[
  Ca  Ca0  2  0.5000  0.2436  0.5000  1.0
  In  In1  1  0.0000  0.5000  0.0000  1.0
  Ga  Ga2  1  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.1990  0.1827  0.1793  1.0
  F  F4  2  0.2679  0.0000  0.7190  1.0
  F  F5  2  0.3016  0.5000  0.6385  1.0
]