data_[Mn3Cr6Ge3Se18]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.4960]
_cell_length_b [6.4960]
_cell_length_c [17.2987]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [MnCr2GeSe6]
_chemical_formula_sum '[Mn3 Cr6 Ge3 Se18]'
_cell_volume [632.1827]
_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  0.8206  1.0
  Cr  Cr1  3  0.0000  0.0000  0.0151  1.0
  Cr  Cr2  3  0.0000  0.0000  0.5105  1.0
  Ge  Ge3  3  0.0000  0.0000  0.3142  1.0
  Se  Se4  9  0.0191  0.6693  0.0854  1.0
  Se  Se5  9  0.0460  0.3574  0.5819  1.0
]