data_[Mg3In6Sn3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.4717]
_cell_length_b [7.4717]
_cell_length_c [18.3324]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [MgIn2SnCl6]
_chemical_formula_sum '[Mg3 In6 Sn3 Cl18]'
_cell_volume [886.3048]
_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
[
  Mg  Mg0  3  0.0000  0.0000  0.3177  1.0
  In  In1  3  0.0000  0.0000  0.0415  1.0
  In  In2  3  0.0000  0.0000  0.5417  1.0
  Sn  Sn3  3  0.0000  0.0000  0.8166  1.0
  Cl  Cl4  9  0.0295  0.5854  0.0700  1.0
  Cl  Cl5  9  0.1057  0.3465  0.9112  1.0
]