data_[Mn3Cr6Ge3Te18]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.0186]
_cell_length_b [7.0186]
_cell_length_c [18.5980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [MnCr2GeTe6]
_chemical_formula_sum '[Mn3 Cr6 Ge3 Te18]'
_cell_volume [793.4044]
_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  0.1791  1.0
  Cr  Cr1  3  0.0000  0.0000  0.4908  1.0
  Cr  Cr2  3  0.0000  0.0000  0.9860  1.0
  Ge  Ge3  3  0.0000  0.0000  0.6853  1.0
  Te  Te4  9  0.0022  0.6830  0.5809  1.0
  Te  Te5  9  0.0212  0.3112  0.0848  1.0
]