data_[Ca4V4Ga8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  V  1.6300  1.3500  0.7775
  Ga  1.8100  1.3000  0.7600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1022]
_cell_length_b [10.9468]
_cell_length_c [6.0495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5923]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaV(GaO3)2]
_chemical_formula_sum '[Ca4 V4 Ga8 O24]'
_cell_volume [543.6327]
_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
[
  Ca  Ca0  4  0.0000  0.1014  0.7500  1
  V  V1  4  0.0000  0.1970  0.2500  1
  Ga  Ga2  8  0.1343  0.4228  0.6728  1
  O  O3  8  0.1012  0.2570  0.5577  1
  O  O4  8  0.1203  0.4404  0.9745  1
  O  O5  8  0.1273  0.0819  0.1878  1
]