data_[Mg4Ga4Sn4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.4527]
_cell_length_b [7.6209]
_cell_length_c [10.7149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [MgGaSnS4]
_chemical_formula_sum '[Mg4 Ga4 Sn4 S16]'
_cell_volume [608.5725]
_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  0.0000  0.0000  0.5000  1.0
  Ga  Ga1  4  0.0000  0.2500  0.8797  1.0
  Sn  Sn2  4  0.2500  0.2500  0.2500  1.0
  S  S3  8  0.0000  0.0049  0.7446  1.0
  S  S4  8  0.2393  0.2500  0.4998  1.0
]