data_[Mg3In12Ge3S24]
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
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.8009]
_cell_length_b [7.8009]
_cell_length_c [18.7028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [MgIn4GeS8]
_chemical_formula_sum '[Mg3 In12 Ge3 S24]'
_cell_volume [985.6641]
_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  0.3793  1.0
  In  In1  9  0.1704  0.8296  0.8321  1.0
  In  In2  3  0.0000  0.0000  0.6163  1.0
  Ge  Ge3  3  0.0000  0.0000  0.0051  1.0
  S  S4  9  0.0155  0.5078  0.7545  1.0
  S  S5  9  0.1781  0.3563  0.5797  1.0
  S  S6  3  0.0000  0.0000  0.2449  1.0
  S  S7  3  0.0000  0.0000  0.7555  1.0
]