# generated using pymatgen
data_Sc3Nb2Si3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42135545
_cell_length_b   7.81586997
_cell_length_c   7.81588697
_cell_angle_alpha   119.99985349
_cell_angle_beta   90.00064042
_cell_angle_gamma   89.99977699
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Nb2Si3H
_chemical_formula_sum   'Sc6 Nb4 Si6 H2'
_cell_volume   286.81030483
_cell_formula_units_Z   2
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  0.25000100  0.25232882  0.00000025  1.0
  Sc  Sc1  1  0.74999700  0.74767143  0.00000125  1.0
  Sc  Sc2  1  0.25000400  0.99999675  0.25232757  1.0
  Sc  Sc3  1  0.74999700  0.25232982  0.25232657  1.0
  Sc  Sc4  1  0.25000200  0.74767143  0.74767018  1.0
  Sc  Sc5  1  0.74999600  0.99999775  0.74766618  1.0
  Nb  Nb6  1  0.00000000  0.66666700  0.33333400  1.0
  Nb  Nb7  1  0.50000000  0.66666800  0.33333500  1.0
  Nb  Nb8  1  0.00000000  0.33333300  0.66666600  1.0
  Nb  Nb9  1  0.49999900  0.33333200  0.66666600  1.0
  Si  Si10  1  0.75000200  0.39514810  0.99999677  1.0
  Si  Si11  1  0.24999900  0.60484667  0.99999577  1.0
  Si  Si12  1  0.75000000  0.00000423  0.39515133  1.0
  Si  Si13  1  0.24999900  0.39514910  0.39515133  1.0
  Si  Si14  1  0.75000100  0.60484867  0.60485290  1.0
  Si  Si15  1  0.24999800  0.00000323  0.60485190  1.0
  H  H16  1  0.00000000  0.00000000  0.00000000  1.0
  H  H17  1  0.49999900  0.00000000  0.00000000  1.0