data_[Cs2Lu2Ge2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Lu  1.2700  1.7500  1.0010
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.8536]
_cell_length_b [3.8950]
_cell_length_c [11.0692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5170]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsLuGeS3]
_chemical_formula_sum '[Cs2 Lu2 Ge2 S6]'
_cell_volume [352.6192]
_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
[
  Cs  Cs0  2  0.2700  0.2500  0.7289  1
  Lu  Lu1  2  0.1313  0.7500  0.1514  1
  Ge  Ge2  2  0.3663  0.2500  0.4344  1
  S  S3  2  0.0904  0.7500  0.9017  1
  S  S4  2  0.1761  0.7500  0.4086  1
  S  S5  2  0.3656  0.2500  0.2235  1
]