data_[Cr2Ge2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cm]
_cell_length_a [6.0920]
_cell_length_b [11.9917]
_cell_length_c [17.1919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CrGeSe3]
_chemical_formula_sum '[Cr2 Ge2 Se6]'
_cell_volume [1255.9318]
_cell_formula_units_Z [2]
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
[
  Cr  Cr0  2  0.2229  0.0000  0.4700  1
  Ge  Ge1  2  0.2897  0.5000  0.5549  1
  Se  Se2  4  0.0580  0.1513  0.5237  1
  Se  Se3  2  0.0758  0.5000  0.4278  1
]