data_[Mn3Cr6Ge3S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cr  1.6600  1.4000  0.9400
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.1326]
_cell_length_b [6.1326]
_cell_length_c [16.3971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [MnCr2GeS6]
_chemical_formula_sum '[Mn3 Cr6 Ge3 S18]'
_cell_volume [534.0497]
_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
[
  Mn  Mn0  3  0.0000  0.0000  0.1800  1.0
  Cr  Cr1  3  0.0000  0.0000  0.4885  1.0
  Cr  Cr2  3  0.0000  0.0000  0.9851  1.0
  Ge  Ge3  3  0.0000  0.0000  0.6858  1.0
  S  S4  9  0.0035  0.6880  0.5817  1.0
  S  S5  9  0.0196  0.3083  0.0845  1.0
]