data_SrLuCuS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77
_cell_length_b   6.77
_cell_length_c   10.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   146.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLuCuS3
_chemical_formula_sum   'Sr2 Lu2 Cu2 S6'
_cell_volume   253.22
_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
  Sr  Sr10  1  0.95  0.78  0.51  1.0
  Sr  Sr11  1  0.95  0.22  0.53  1.0
  Lu  Lu2  1  0.0  0.0  0.0  1.0
  Lu  Lu3  1  0.0  0.0  0.02  1.0
  Cu  Cu0  1  0.95  0.38  0.51  1.0
  Cu  Cu1  1  0.95  0.62  0.53  1.0
  S  S4  1  0.95  0.76  0.64  1.0
  S  S5  1  0.95  0.51  0.51  1.0
  S  S6  1  0.95  0.76  0.38  1.0
  S  S7  1  0.95  0.24  0.65  1.0
  S  S8  1  0.95  0.49  0.53  1.0
  S  S9  1  0.95  0.24  0.4  1.0

data_SrLuCuS3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   6.77
_cell_length_c   10.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLuCuS3
_chemical_formula_sum   'Sr2 Lu2 Cu2 S6'
_cell_volume   253.22
_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
  Sr  Sr0  1  0.22  0.17  0.51  1.0
  Sr  Sr1  1  0.78  0.73  0.53  1.0
  Lu  Lu2  1  0.0  0.0  0.0  1.0
  Lu  Lu3  1  0.0  0.0  0.02  1.0
  Cu  Cu4  1  0.38  0.33  0.53  1.0
  Cu  Cu5  1  0.62  0.56  0.51  1.0
  S  S6  1  0.24  0.19  0.38  1.0
  S  S7  1  0.24  0.19  0.64  1.0
  S  S8  1  0.49  0.43  0.51  1.0
  S  S9  1  0.51  0.46  0.53  1.0
  S  S10  1  0.76  0.71  0.4  1.0
  S  S11  1  0.76  0.71  0.65  1.0

Sr Sr Lu Lu Cu Cu S S S S S S