# generated using pymatgen
data_ScTiCo4P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56923324
_cell_length_b   10.26262652
_cell_length_c   11.75713023
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTiCo4P3
_chemical_formula_sum   'Sc4 Ti4 Co16 P12'
_cell_volume   430.66024378
_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  0.58224196  0.70794410  1.0
  Sc  Sc1  1  0.25000000  0.91775804  0.20794410  1.0
  Sc  Sc2  1  0.75000000  0.41775804  0.29205590  1.0
  Sc  Sc3  1  0.75000000  0.08224196  0.79205590  1.0
  Ti  Ti4  1  0.25000000  0.70391085  0.99052638  1.0
  Ti  Ti5  1  0.25000000  0.79608915  0.49052638  1.0
  Ti  Ti6  1  0.75000000  0.29608915  0.00947362  1.0
  Ti  Ti7  1  0.75000000  0.20391085  0.50947362  1.0
  Co  Co8  1  0.25000000  0.40593640  0.48669128  1.0
  Co  Co9  1  0.25000000  0.09406360  0.98669128  1.0
  Co  Co10  1  0.75000000  0.59406360  0.51330872  1.0
  Co  Co11  1  0.75000000  0.90593640  0.01330872  1.0
  Co  Co12  1  0.25000000  0.22151290  0.17540154  1.0
  Co  Co13  1  0.25000000  0.27848810  0.67540154  1.0
  Co  Co14  1  0.75000000  0.77848810  0.82459846  1.0
  Co  Co15  1  0.75000000  0.72151190  0.32459846  1.0
  Co  Co16  1  0.25000000  0.88579240  0.70158048  1.0
  Co  Co17  1  0.25000000  0.61420760  0.20158048  1.0
  Co  Co18  1  0.75000000  0.11420760  0.29841952  1.0
  Co  Co19  1  0.75000000  0.38579240  0.79841952  1.0
  Co  Co20  1  0.25000000  0.46338269  0.93246201  1.0
  Co  Co21  1  0.25000000  0.03661731  0.43246201  1.0
  Co  Co22  1  0.75000000  0.53661731  0.06753799  1.0
  Co  Co23  1  0.75000000  0.96338269  0.56753799  1.0
  P  P24  1  0.25000000  0.42203796  0.11835304  1.0
  P  P25  1  0.25000000  0.07796204  0.61835304  1.0
  P  P26  1  0.75000000  0.57796204  0.88164696  1.0
  P  P27  1  0.75000000  0.92203796  0.38164696  1.0
  P  P28  1  0.25000000  0.26462273  0.86029726  1.0
  P  P29  1  0.25000000  0.23537727  0.36029726  1.0
  P  P30  1  0.75000000  0.73537727  0.13970274  1.0
  P  P31  1  0.75000000  0.76462273  0.63970274  1.0
  P  P32  1  0.25000000  0.58851024  0.38790620  1.0
  P  P33  1  0.25000000  0.91148976  0.88790620  1.0
  P  P34  1  0.75000000  0.41148976  0.61209380  1.0
  P  P35  1  0.75000000  0.08851024  0.11209380  1.0