data_[Mn3Ga18Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ga  1.8100  1.3000  0.7600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.2841]
_cell_length_b [7.2841]
_cell_length_c [37.0069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Mn(GaCl2)6]
_chemical_formula_sum '[Mn3 Ga18 Cl36]'
_cell_volume [1700.4305]
_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
[
  Mn  Mn0  3  0.0000  0.0000  0.0000  1
  Ga  Ga1  18  0.0583  0.5292  0.4319  1
  Cl  Cl2  18  0.0035  0.5018  0.6297  1
  Cl  Cl3  18  0.0071  0.5036  0.7861  1
]