data_[Ca12Ga4O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ga  1.8100  1.3000  0.7600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8263]
_cell_length_b [7.2485]
_cell_length_c [11.9521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.9361]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca6Ga2O]
_chemical_formula_sum '[Ca12 Ga4 O2]'
_cell_volume [490.6606]
_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
[
  Ca  Ca0  4  0.1635  0.1847  0.4563  1.0
  Ca  Ca1  4  0.2763  0.7100  0.4578  1.0
  Ca  Ca2  4  0.3466  0.0169  0.2609  1.0
  Ga  Ga3  4  0.2245  0.0722  0.7499  1.0
  O  O4  2  0.5000  0.0000  0.5000  1.0
]