data_[Na3Ca6Ga3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Ga  1.8100  1.3000  0.7600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.2076]
_cell_length_b [7.2076]
_cell_length_c [18.9746]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NaCa2GaCl6]
_chemical_formula_sum '[Na3 Ca6 Ga3 Cl18]'
_cell_volume [853.6636]
_cell_formula_units_Z [3]
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
[
  Na  Na0  3  0.0000  0.0000  0.3121  1.0
  Ca  Ca1  3  0.0000  0.0000  0.0108  1.0
  Ca  Ca2  3  0.0000  0.0000  0.5144  1.0
  Ga  Ga3  3  0.0000  0.0000  0.8054  1.0
  Cl  Cl4  9  0.0394  0.3485  0.5872  1.0
  Cl  Cl5  9  0.0654  0.7131  0.0856  1.0
]