# generated using pymatgen
data_Y3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68261143
_cell_length_b   6.34993332
_cell_length_c   17.53436971
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3H
_chemical_formula_sum   'Y12 H4'
_cell_volume   410.02961080
_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
  Y  Y0  1  0.00000000  0.66478661  0.40922571  1.0
  Y  Y1  1  0.00000000  0.33521339  0.59077429  1.0
  Y  Y2  1  -0.00000000  0.66478661  0.09077429  1.0
  Y  Y3  1  -0.00000000  0.33521339  0.90922571  1.0
  Y  Y4  1  0.00000000  0.32677154  0.25000000  1.0
  Y  Y5  1  0.00000000  0.67322846  0.75000000  1.0
  Y  Y6  1  0.50000000  0.17354686  0.41823717  1.0
  Y  Y7  1  0.50000000  0.82645314  0.58176283  1.0
  Y  Y8  1  0.50000000  0.17354686  0.08176283  1.0
  Y  Y9  1  0.50000000  0.82645314  0.91823717  1.0
  Y  Y10  1  0.50000000  0.83563361  0.25000000  1.0
  Y  Y11  1  0.50000000  0.16436639  0.75000000  1.0
  H  H12  1  0.00000000  0.33032465  0.37969983  1.0
  H  H13  1  0.00000000  0.66967535  0.62030017  1.0
  H  H14  1  0.00000000  0.33032465  0.12030017  1.0
  H  H15  1  0.00000000  0.66967535  0.87969983  1.0