data_[Mg4Ga8Te4S24]
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
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.4896]
_cell_length_b [10.8620]
_cell_length_c [6.7501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8788]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MgGa2TeS6]
_chemical_formula_sum '[Mg4 Ga8 Te4 S24]'
_cell_volume [888.9966]
_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  0.0991  0.2500  1.0
  Ga  Ga1  8  0.1952  0.4070  0.2507  1.0
  Te  Te2  4  0.0000  0.2636  0.7500  1.0
  S  S3  8  0.1072  0.0921  0.6356  1.0
  S  S4  8  0.1367  0.4282  0.5455  1.0
  S  S5  8  0.1367  0.2216  0.1111  1.0
]