data_[Lu4Cu4Ge4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7396]
_cell_length_b [12.3145]
_cell_length_c [10.0253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LuCuGeS3]
_chemical_formula_sum '[Lu4 Cu4 Ge4 S12]'
_cell_volume [461.6758]
_cell_formula_units_Z [4]
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
[
  Lu  Lu0  4  0.0000  0.0000  0.0000  1
  Cu  Cu1  4  0.0000  0.4722  0.2500  1
  Ge  Ge2  4  0.0000  0.2353  0.7500  1
  S  S3  8  0.0000  0.3558  0.0711  1
  S  S4  4  0.0000  0.0897  0.2500  1
]