data_CeHo4S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79
_cell_length_b   6.79
_cell_length_c   11.61
_cell_angle_alpha   104.19
_cell_angle_beta   104.19
_cell_angle_gamma   32.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeHo4S7
_chemical_formula_sum   'Ce1 Ho4 S7'
_cell_volume   279.15
_cell_formula_units_Z   1
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
  Ce  Ce0  1  0.04  0.0  0.61  1.0
  Ho  Ho1  1  0.82  0.0  0.87  1.0
  Ho  Ho2  1  0.25  0.0  0.36  1.0
  Ho  Ho3  1  0.68  0.0  0.49  1.0
  Ho  Ho4  1  0.39  0.0  0.73  1.0
  S  S5  1  0.58  0.0  0.59  1.0
  S  S6  1  0.49  0.0  0.63  1.0
  S  S7  1  0.57  0.0  1.0  1.0
  S  S8  1  0.51  0.0  0.23  1.0
  S  S9  1  0.27  0.0  0.14  1.0
  S  S10  1  0.8  0.0  0.09  1.0
  S  S11  1  0.0  0.0  0.0  1.0

data_CeHo4S7
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   6.79
_cell_length_c   11.61
_cell_angle_alpha   104.19
_cell_angle_beta   90.0
_cell_angle_gamma   106.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeHo4S7
_chemical_formula_sum   'Ce1 Ho4 S7'
_cell_volume   279.15
_cell_formula_units_Z   1
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
  Ce  Ce0  1  0.0  0.96  0.39  1.0
  Ho  Ho1  1  0.0  0.18  0.13  1.0
  Ho  Ho2  1  0.0  0.32  0.51  1.0
  Ho  Ho3  1  0.0  0.61  0.27  1.0
  Ho  Ho4  1  0.0  0.75  0.64  1.0
  S  S5  1  0.0  0.0  0.0  1.0
  S  S6  1  0.0  0.2  0.91  1.0
  S  S7  1  0.0  0.42  0.41  1.0
  S  S8  1  0.0  0.43  0.0  1.0
  S  S9  1  0.0  0.49  0.77  1.0
  S  S10  1  0.0  0.51  0.37  1.0
  S  S11  1  0.0  0.73  0.86  1.0

Ce Ho Ho Ho Ho S S S S S S S