data_Rb5SiAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.37
_cell_length_b   5.72
_cell_length_c   15.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb5SiAs3
_chemical_formula_sum   'Rb20 Si4 As12'
_cell_volume   1293.26
_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
  Rb  Rb12  1  0.13  0.29  0.64  1.0
  Rb  Rb13  1  0.15  0.43  0.9  1.0
  Rb  Rb14  1  0.78  0.43  0.37  1.0
  Rb  Rb15  1  0.55  0.29  0.87  1.0
  Rb  Rb16  1  0.2  0.43  0.34  1.0
  Rb  Rb17  1  0.01  0.43  0.53  1.0
  Rb  Rb18  1  0.73  0.29  0.0  1.0
  Rb  Rb19  1  0.96  0.43  0.5  1.0
  Rb  Rb20  1  0.97  0.43  0.97  1.0
  Rb  Rb21  1  0.31  0.29  0.23  1.0
  Rb  Rb22  1  0.05  0.43  0.51  1.0
  Rb  Rb23  1  0.4  0.29  0.78  1.0
  Rb  Rb24  1  0.4  0.29  0.24  1.0
  Rb  Rb25  1  0.63  0.43  0.74  1.0
  Rb  Rb26  1  0.35  0.29  0.21  1.0
  Rb  Rb27  1  0.17  0.29  0.41  1.0
  Rb  Rb28  1  0.82  0.43  0.88  1.0
  Rb  Rb29  1  0.59  0.29  0.37  1.0
  Rb  Rb30  1  0.21  0.29  0.84  1.0
  Rb  Rb31  1  0.24  0.43  0.1  1.0
  Si  Si32  1  0.62  0.29  0.17  1.0
  Si  Si33  1  0.43  0.29  0.7  1.0
  Si  Si34  1  0.93  0.43  0.04  1.0
  Si  Si35  1  0.75  0.43  0.57  1.0
  As  As0  1  0.51  0.43  0.02  1.0
  As  As1  1  0.92  0.29  0.5  1.0
  As  As2  1  0.13  0.29  0.97  1.0
  As  As3  1  0.95  0.29  0.9  1.0
  As  As4  1  0.74  0.29  0.37  1.0
  As  As5  1  0.69  0.43  0.85  1.0
  As  As6  1  0.68  0.29  0.89  1.0
  As  As7  1  0.63  0.43  0.37  1.0
  As  As8  1  0.42  0.43  0.84  1.0
  As  As9  1  0.24  0.43  0.77  1.0
  As  As10  1  0.45  0.43  0.25  1.0
  As  As11  1  0.86  0.29  0.72  1.0

data_Rb5SiAs3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.72
_cell_length_b   14.37
_cell_length_c   15.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Rb5SiAs3
_chemical_formula_sum   'Rb20 Si4 As12'
_cell_volume   1293.26
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Rb  Rb0  2  0.43  0.49  0.53  1.0
  Rb  Rb1  2  0.43  0.53  0.97  1.0
  Rb  Rb2  2  0.43  0.67  0.34  1.0
  Rb  Rb3  2  0.43  0.71  0.9  1.0
  Rb  Rb4  2  0.43  0.72  0.37  1.0
  Rb  Rb5  2  0.43  0.9  0.5  1.0
  Rb  Rb6  2  0.43  0.05  0.13  1.0
  Rb  Rb7  2  0.43  0.45  0.77  1.0
  Rb  Rb8  2  0.43  0.63  0.36  1.0
  Rb  Rb9  2  0.43  0.87  1.0  1.0
  Si  Si10  2  0.43  0.75  0.83  1.0
  Si  Si11  2  0.43  0.93  0.3  1.0
  As  As12  2  0.43  0.18  0.85  1.0
  As  As13  2  0.43  0.99  0.02  1.0
  As  As14  2  0.43  0.05  0.5  1.0
  As  As15  2  0.43  0.24  0.63  1.0
  As  As16  2  0.43  0.26  0.03  1.0
  As  As17  2  0.43  0.45  0.1  1.0

Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Si Si Si Si As As As As As As As As As As As As