# generated using pymatgen
data_ScTa(NiH3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37761267
_cell_length_b   5.37761261
_cell_length_c   4.22997649
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   142.96572462
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTa(NiH3)2
_chemical_formula_sum   'Sc1 Ta1 Ni2 H6'
_cell_volume   73.67575003
_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  0.13841414  0.86158586  0.25000000  1.0
  Ta  Ta1  1  0.86199903  0.13800097  0.75000000  1.0
  Ni  Ni2  1  0.56795966  0.43204034  0.75000000  1.0
  Ni  Ni3  1  0.42656533  0.57343467  0.25000000  1.0
  H  H4  1  0.06081203  0.93918797  0.75000000  1.0
  H  H5  1  0.92033264  0.07966736  0.25000000  1.0
  H  H6  1  0.69589045  0.30410955  0.51261927  1.0
  H  H7  1  0.31606764  0.68393236  0.52326789  1.0
  H  H8  1  0.69589045  0.30410955  0.98738073  1.0
  H  H9  1  0.31606764  0.68393236  0.97673211  1.0