data_Lu(CuS)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   19.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu(CuS)3
_chemical_formula_sum   'Lu2 Cu6 S6'
_cell_volume   249.34
_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
  Lu  Lu0  1  0.0  0.0  0.27  1.0
  Lu  Lu1  1  0.0  0.0  0.38  1.0
  Cu  Cu2  1  0.91  0.1  0.78  1.0
  Cu  Cu3  1  0.91  0.1  0.76  1.0
  Cu  Cu4  1  0.91  0.1  0.73  1.0
  Cu  Cu5  1  0.0  0.21  0.87  1.0
  Cu  Cu6  1  0.0  0.21  0.92  1.0
  Cu  Cu7  1  0.0  0.21  0.89  1.0
  S  S8  1  0.91  0.1  0.59  1.0
  S  S9  1  0.91  0.1  0.93  1.0
  S  S10  1  0.91  0.1  0.95  1.0
  S  S11  1  0.0  0.21  0.06  1.0
  S  S12  1  0.0  0.21  0.7  1.0
  S  S13  1  0.0  0.21  0.72  1.0

data_Lu(CuS)3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   19.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu(CuS)3
_chemical_formula_sum   'Lu2 Cu6 S6'
_cell_volume   249.34
_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
  Lu  Lu0  1  0.0  0.0  0.27  1.0
  Lu  Lu1  1  0.0  0.0  0.38  1.0
  Cu  Cu2  1  0.0  0.21  0.87  1.0
  Cu  Cu3  1  0.0  0.21  0.89  1.0
  Cu  Cu4  1  0.0  0.21  0.92  1.0
  Cu  Cu5  1  0.91  0.1  0.73  1.0
  Cu  Cu6  1  0.91  0.1  0.76  1.0
  Cu  Cu7  1  0.91  0.1  0.78  1.0
  S  S8  1  0.0  0.21  0.06  1.0
  S  S9  1  0.0  0.21  0.7  1.0
  S  S10  1  0.0  0.21  0.72  1.0
  S  S11  1  0.91  0.1  0.59  1.0
  S  S12  1  0.91  0.1  0.93  1.0
  S  S13  1  0.91  0.1  0.95  1.0

Lu Lu Cu Cu Cu Cu Cu Cu S S S S S S