# generated using pymatgen
data_Sc2Mn12P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.32643380
_cell_length_b   9.32643380
_cell_length_c   3.42915734
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Mn12P7
_chemical_formula_sum   'Sc2 Mn12 P7'
_cell_volume   258.31478708
_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
  Sc  Sc0  1  0.00000000  0.00000000  0.00000000  1
  Sc  Sc1  1  0.66666700  0.33333300  0.50000000  1
  Mn  Mn2  1  0.38748100  0.28891900  0.00000000  1
  Mn  Mn3  1  0.90143800  0.61251900  0.00000000  1
  Mn  Mn4  1  0.71108100  0.09856200  0.00000000  1
  Mn  Mn5  1  0.60965300  0.78410200  0.00000000  1
  Mn  Mn6  1  0.17445000  0.39034700  0.00000000  1
  Mn  Mn7  1  0.21589800  0.82555000  0.00000000  1
  Mn  Mn8  1  0.76791800  0.71676500  0.50000000  1
  Mn  Mn9  1  0.94884700  0.23208200  0.50000000  1
  Mn  Mn10  1  0.28323500  0.05115300  0.50000000  1
  Mn  Mn11  1  0.43480400  0.53539300  0.50000000  1
  Mn  Mn12  1  0.10058900  0.56519600  0.50000000  1
  Mn  Mn13  1  0.46460700  0.89941100  0.50000000  1
  P  P14  1  0.62360300  0.53960700  0.00000000  1
  P  P15  1  0.91600400  0.37639700  0.00000000  1
  P  P16  1  0.46039300  0.08399600  0.00000000  1
  P  P17  1  0.75206500  0.95789200  0.50000000  1
  P  P18  1  0.20582700  0.24793500  0.50000000  1
  P  P19  1  0.04210800  0.79417300  0.50000000  1
  P  P20  1  0.33333300  0.66666700  0.00000000  1
