# generated using pymatgen
data_ScTiMn4P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54556465
_cell_length_b   10.79233486
_cell_length_c   12.26804907
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTiMn4P3
_chemical_formula_sum   'Sc4 Ti4 Mn16 P12'
_cell_volume   469.43592817
_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  0.58966297  0.70984480  1.0
  Sc  Sc1  1  0.25000000  0.91033703  0.20984480  1.0
  Sc  Sc2  1  0.75000000  0.41033703  0.29015520  1.0
  Sc  Sc3  1  0.75000000  0.08966297  0.79015520  1.0
  Ti  Ti4  1  0.25000000  0.71339536  0.98099131  1.0
  Ti  Ti5  1  0.25000000  0.78660464  0.48099131  1.0
  Ti  Ti6  1  0.75000000  0.28660464  0.01900869  1.0
  Ti  Ti7  1  0.75000000  0.21339536  0.51900869  1.0
  Mn  Mn8  1  0.25000000  0.41032471  0.49410250  1.0
  Mn  Mn9  1  0.25000000  0.08967529  0.99410250  1.0
  Mn  Mn10  1  0.75000000  0.58967529  0.50589750  1.0
  Mn  Mn11  1  0.75000000  0.91032471  0.00589750  1.0
  Mn  Mn12  1  0.25000000  0.21004650  0.18136255  1.0
  Mn  Mn13  1  0.25000000  0.28995450  0.68136255  1.0
  Mn  Mn14  1  0.75000000  0.78995450  0.81863745  1.0
  Mn  Mn15  1  0.75000000  0.71004550  0.31863745  1.0
  Mn  Mn16  1  0.25000000  0.88492657  0.69356911  1.0
  Mn  Mn17  1  0.25000000  0.61507343  0.19356911  1.0
  Mn  Mn18  1  0.75000000  0.11507343  0.30643089  1.0
  Mn  Mn19  1  0.75000000  0.38492657  0.80643089  1.0
  Mn  Mn20  1  0.25000000  0.46340774  0.93477536  1.0
  Mn  Mn21  1  0.25000000  0.03659226  0.43477536  1.0
  Mn  Mn22  1  0.75000000  0.53659226  0.06522464  1.0
  Mn  Mn23  1  0.75000000  0.96340774  0.56522464  1.0
  P  P24  1  0.25000000  0.41305930  0.12074431  1.0
  P  P25  1  0.25000000  0.08694070  0.62074431  1.0
  P  P26  1  0.75000000  0.58694070  0.87925569  1.0
  P  P27  1  0.75000000  0.91305930  0.37925569  1.0
  P  P28  1  0.25000000  0.26064480  0.87038881  1.0
  P  P29  1  0.25000000  0.23935520  0.37038881  1.0
  P  P30  1  0.75000000  0.73935520  0.12961119  1.0
  P  P31  1  0.75000000  0.76064480  0.62961119  1.0
  P  P32  1  0.25000000  0.57997441  0.37849946  1.0
  P  P33  1  0.25000000  0.92002559  0.87849946  1.0
  P  P34  1  0.75000000  0.42002559  0.62150054  1.0
  P  P35  1  0.75000000  0.07997441  0.12150054  1.0