data_[Mg4In4Sn4Cl20]
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 [C2/c]
_cell_length_a [9.8518]
_cell_length_b [11.0759]
_cell_length_c [10.1510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3068]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MgInSnCl5]
_chemical_formula_sum '[Mg4 In4 Sn4 Cl20]'
_cell_volume [1009.4702]
_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
[
  Mg  Mg0  4  0.2500  0.2500  0.0000  1.0
  In  In1  4  0.0000  0.0622  0.2500  1.0
  Sn  Sn2  4  0.0000  0.4989  0.7500  1.0
  Cl  Cl3  8  0.0677  0.3313  0.0964  1.0
  Cl  Cl4  8  0.2004  0.0441  0.0623  1.0
  Cl  Cl5  4  0.0000  0.2232  0.7500  1.0
]