data_CoSb5P2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.75
_cell_length_b   8.15
_cell_length_c   8.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSb5P2
_chemical_formula_sum   'Co4 Sb20 P8'
_cell_volume   766.7
_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
  Co  Co0  1  0.75  0.11  0.27  1.0
  Co  Co1  1  0.88  0.04  0.27  1.0
  Co  Co2  1  0.0  0.04  0.74  1.0
  Co  Co3  1  0.87  0.11  0.74  1.0
  Sb  Sb12  1  0.35  0.11  0.98  1.0
  Sb  Sb13  1  0.53  0.04  0.98  1.0
  Sb  Sb14  1  0.4  0.04  0.03  1.0
  Sb  Sb15  1  0.22  0.11  0.02  1.0
  Sb  Sb16  1  0.88  0.11  0.05  1.0
  Sb  Sb17  1  0.75  0.04  0.05  1.0
  Sb  Sb18  1  0.87  0.04  0.96  1.0
  Sb  Sb19  1  0.0  0.11  0.95  1.0
  Sb  Sb20  1  0.32  0.11  0.11  1.0
  Sb  Sb21  1  0.55  0.04  0.11  1.0
  Sb  Sb22  1  0.43  0.04  0.9  1.0
  Sb  Sb23  1  0.2  0.11  0.9  1.0
  Sb  Sb24  1  0.02  0.92  0.34  1.0
  Sb  Sb25  1  0.86  0.23  0.33  1.0
  Sb  Sb26  1  0.73  0.85  0.67  1.0
  Sb  Sb27  1  0.89  0.3  0.68  1.0
  Sb  Sb28  1  0.73  0.23  0.67  1.0
  Sb  Sb29  1  0.89  0.92  0.68  1.0
  Sb  Sb30  1  0.02  0.3  0.34  1.0
  Sb  Sb31  1  0.86  0.85  0.33  1.0
  P  P4  1  0.4  0.0  0.3  1.0
  P  P5  1  0.47  0.0  0.3  1.0
  P  P6  1  0.35  0.07  0.71  1.0
  P  P7  1  0.27  0.07  0.71  1.0
  P  P8  1  0.35  0.0  0.71  1.0
  P  P9  1  0.27  0.0  0.71  1.0
  P  P10  1  0.4  0.07  0.3  1.0
  P  P11  1  0.47  0.07  0.3  1.0

data_CoSb5P2
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.01
_cell_length_b   8.15
_cell_length_c   11.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSb5P2
_chemical_formula_sum   'Co4 Sb20 P8'
_cell_volume   766.7
_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
  Co  Co0  1  0.26  0.96  1.0  1.0
  Co  Co1  1  0.26  0.89  0.13  1.0
  Co  Co2  1  0.73  0.96  0.12  1.0
  Co  Co3  1  0.73  0.89  0.25  1.0
  Sb  Sb4  1  0.02  0.96  0.47  1.0
  Sb  Sb5  1  0.02  0.89  0.65  1.0
  Sb  Sb6  1  0.04  0.96  0.13  1.0
  Sb  Sb7  1  0.05  0.89  1.0  1.0
  Sb  Sb8  1  0.1  0.89  0.8  1.0
  Sb  Sb9  1  0.1  0.96  0.57  1.0
  Sb  Sb10  1  0.32  0.08  0.11  1.0
  Sb  Sb11  1  0.32  0.7  0.11  1.0
  Sb  Sb12  1  0.33  0.15  0.27  1.0
  Sb  Sb13  1  0.33  0.77  0.27  1.0
  Sb  Sb14  1  0.66  0.08  0.98  1.0
  Sb  Sb15  1  0.66  0.7  0.98  1.0
  Sb  Sb16  1  0.67  0.15  0.14  1.0
  Sb  Sb17  1  0.67  0.77  0.14  1.0
  Sb  Sb18  1  0.89  0.89  0.68  1.0
  Sb  Sb19  1  0.89  0.96  0.45  1.0
  Sb  Sb20  1  0.95  0.96  0.25  1.0
  Sb  Sb21  1  0.95  0.89  0.12  1.0
  Sb  Sb22  1  0.97  0.96  0.6  1.0
  Sb  Sb23  1  0.98  0.89  0.78  1.0
  P  P24  1  0.29  0.0  0.73  1.0
  P  P25  1  0.29  0.93  0.73  1.0
  P  P26  1  0.29  0.0  0.65  1.0
  P  P27  1  0.29  0.93  0.65  1.0
  P  P28  1  0.7  0.0  0.6  1.0
  P  P29  1  0.7  0.93  0.6  1.0
  P  P30  1  0.7  0.0  0.53  1.0
  P  P31  1  0.7  0.93  0.53  1.0

Co Co Co Co Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb P P P P P P P P