# generated using pymatgen
data_ScMn5P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.50721181
_cell_length_b   10.76791098
_cell_length_c   12.24088248
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMn5P3
_chemical_formula_sum   'Sc4 Mn20 P12'
_cell_volume   462.28114469
_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
  Sc  Sc0  1  0.25000000  0.58676721  0.70811187  1.0
  Sc  Sc1  1  0.25000000  0.91323279  0.20811187  1.0
  Sc  Sc2  1  0.75000000  0.41323279  0.29188813  1.0
  Sc  Sc3  1  0.75000000  0.08676721  0.79188813  1.0
  Mn  Mn4  1  0.25000000  0.71552506  0.97876389  1.0
  Mn  Mn5  1  0.25000000  0.78447494  0.47876389  1.0
  Mn  Mn6  1  0.75000000  0.28447494  0.02123611  1.0
  Mn  Mn7  1  0.75000000  0.21552506  0.52123611  1.0
  Mn  Mn8  1  0.25000000  0.41015589  0.49289026  1.0
  Mn  Mn9  1  0.25000000  0.08984411  0.99289026  1.0
  Mn  Mn10  1  0.75000000  0.58984411  0.50710974  1.0
  Mn  Mn11  1  0.75000000  0.91015589  0.00710974  1.0
  Mn  Mn12  1  0.25000000  0.21156184  0.18221712  1.0
  Mn  Mn13  1  0.25000000  0.28843916  0.68221712  1.0
  Mn  Mn14  1  0.75000000  0.78843916  0.81778288  1.0
  Mn  Mn15  1  0.75000000  0.71156084  0.31778288  1.0
  Mn  Mn16  1  0.25000000  0.88305329  0.69343434  1.0
  Mn  Mn17  1  0.25000000  0.61694671  0.19343434  1.0
  Mn  Mn18  1  0.75000000  0.11694671  0.30656566  1.0
  Mn  Mn19  1  0.75000000  0.38305329  0.80656566  1.0
  Mn  Mn20  1  0.25000000  0.46255138  0.93457337  1.0
  Mn  Mn21  1  0.25000000  0.03744862  0.43457337  1.0
  Mn  Mn22  1  0.75000000  0.53744862  0.06542663  1.0
  Mn  Mn23  1  0.75000000  0.96255138  0.56542663  1.0
  P  P24  1  0.25000000  0.41281186  0.12006341  1.0
  P  P25  1  0.25000000  0.08718814  0.62006341  1.0
  P  P26  1  0.75000000  0.58718814  0.87993659  1.0
  P  P27  1  0.75000000  0.91281186  0.37993659  1.0
  P  P28  1  0.25000000  0.25988081  0.87280898  1.0
  P  P29  1  0.25000000  0.24011919  0.37280898  1.0
  P  P30  1  0.75000000  0.74011919  0.12719102  1.0
  P  P31  1  0.75000000  0.75988081  0.62719102  1.0
  P  P32  1  0.25000000  0.58466982  0.37957253  1.0
  P  P33  1  0.25000000  0.91533018  0.87957253  1.0
  P  P34  1  0.75000000  0.41533018  0.62042747  1.0
  P  P35  1  0.75000000  0.08466982  0.12042747  1.0