# generated using pymatgen
data_Sc20N19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.44524120
_cell_length_b   8.44524050
_cell_length_c   8.44524110
_cell_angle_alpha   106.58781858
_cell_angle_beta   106.58781173
_cell_angle_gamma   115.40607324
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc20N19
_chemical_formula_sum   'Sc20 N19'
_cell_volume   459.90598139
_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  0.04737291  0.64991650  0.20048989  1.0
  Sc  Sc1  1  0.39583551  0.70770310  0.10353961  1.0
  Sc  Sc2  1  0.10013662  0.79859804  0.89873466  1.0
  Sc  Sc3  1  0.75873779  0.75873779  0.00000000  1.0
  Sc  Sc4  1  0.79859804  0.89986338  0.69846141  1.0
  Sc  Sc5  1  0.44942761  0.84688201  0.79951011  1.0
  Sc  Sc6  1  0.50000000  0.00000000  0.50000000  1.0
  Sc  Sc7  1  0.15311799  0.95262709  0.60254359  1.0
  Sc  Sc8  1  0.20140196  0.10013662  0.30153859  1.0
  Sc  Sc9  1  0.84688201  0.04737291  0.39745641  1.0
  Sc  Sc10  1  0.89986338  0.20140196  0.10126534  1.0
  Sc  Sc11  1  0.55057239  0.15311799  0.20048989  1.0
  Sc  Sc12  1  0.60416449  0.29229690  0.89646039  1.0
  Sc  Sc13  1  0.24126221  0.24126221  1.00000000  1.0
  Sc  Sc14  1  0.29229690  0.39583551  0.68813340  1.0
  Sc  Sc15  1  0.95262709  0.35008350  0.79951011  1.0
  Sc  Sc16  1  0.00000000  0.50000000  0.50000000  1.0
  Sc  Sc17  1  0.64991650  0.44942761  0.60254359  1.0
  Sc  Sc18  1  0.70770310  0.60416449  0.31186660  1.0
  Sc  Sc19  1  0.35008350  0.55057239  0.39745641  1.0
  N  N20  1  0.89905482  0.69977964  0.59883446  1.0
  N  N21  1  0.55016851  0.65000557  0.70200836  1.0
  N  N22  1  0.60007795  0.79897894  0.39905688  1.0
  N  N23  1  0.25000000  0.75000000  0.50000000  1.0
  N  N24  1  0.30022036  0.89905482  0.19927518  1.0
  N  N25  1  0.94799721  0.84816015  0.29799164  1.0
  N  N26  1  0.00000000  0.00000000  0.00000000  1.0
  N  N27  1  0.65000557  0.94799721  0.09983706  1.0
  N  N28  1  0.69977964  0.10094518  0.80072482  1.0
  N  N29  1  0.34999443  0.05200279  0.90016294  1.0
  N  N30  1  0.05200279  0.15183985  0.70200836  1.0
  N  N31  1  0.75000000  0.25000000  0.50000000  1.0
  N  N32  1  0.39992205  0.20102106  0.60094312  1.0
  N  N33  1  0.44983149  0.34999443  0.29799164  1.0
  N  N34  1  0.10094518  0.30022036  0.40116554  1.0
  N  N35  1  0.15183985  0.44983149  0.09983706  1.0
  N  N36  1  0.20102106  0.60007795  0.80110001  1.0
  N  N37  1  0.79897894  0.39992205  0.19889999  1.0
  N  N38  1  0.84816015  0.55016851  0.90016294  1.0