# generated using pymatgen
data_Hf(ZrH5)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97016307
_cell_length_b   6.96958539
_cell_length_c   6.94934433
_cell_angle_alpha   109.47277098
_cell_angle_beta   109.47614272
_cell_angle_gamma   109.58414298
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf(ZrH5)3
_chemical_formula_sum   'Hf2 Zr6 H30'
_cell_volume   259.49550582
_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
  Hf  Hf0  1  0.90407003  0.90423315  0.90424483  1.0
  Hf  Hf1  1  0.49982420  0.99998732  0.09575517  1.0
  Zr  Zr2  1  0.99897745  0.09266133  0.49905258  1.0
  Zr  Zr3  1  0.09353017  0.50075171  0.99996078  1.0
  Zr  Zr4  1  0.99992487  0.59360875  0.50094742  1.0
  Zr  Zr5  1  0.59356839  0.50078993  0.00003922  1.0
  Zr  Zr6  1  0.50090906  0.99997962  0.59533545  1.0
  Zr  Zr7  1  0.40557262  0.40464417  0.40466455  1.0
  H  H8  1  0.65388420  0.96841809  0.38211886  1.0
  H  H9  1  0.23049607  0.31391948  0.84467636  1.0
  H  H10  1  0.18568129  0.41586619  0.53007109  1.0
  H  H11  1  0.08210493  0.26643706  0.11101697  1.0
  H  H12  1  0.26930668  0.10956445  0.08073872  1.0
  H  H13  1  0.11109013  0.08059418  0.26588560  1.0
  H  H14  1  0.47108696  0.15542010  0.88898303  1.0
  H  H15  1  0.73078722  0.34496365  0.81334850  1.0
  H  H16  1  0.62454308  0.37326968  0.24998610  1.0
  H  H17  1  0.25100342  0.62535588  0.37554835  1.0
  H  H18  1  0.74868577  0.87541768  0.12326425  1.0
  H  H19  1  0.12542052  0.75215243  0.87673575  1.0
  H  H20  1  0.37545507  0.24980753  0.62445165  1.0
  H  H21  1  0.87455798  0.12328358  0.75001390  1.0
  H  H22  1  0.77176535  0.58630024  0.61788114  1.0
  H  H23  1  0.31436707  0.84623836  0.22868872  1.0
  H  H24  1  0.38730632  0.65988549  0.96962543  1.0
  H  H25  1  0.96780308  0.38520476  0.65478660  1.0
  H  H26  1  0.53107879  0.18517192  0.41374479  1.0
  H  H27  1  0.41743873  0.53161615  0.18665150  1.0
  H  H28  1  0.84022805  0.22791913  0.30961064  1.0
  H  H29  1  0.91767889  0.69025906  0.03037457  1.0
  H  H30  1  0.81301748  0.73041816  0.34521340  1.0
  H  H31  1  0.15561219  0.88579710  0.46992891  1.0
  H  H32  1  0.68856796  0.02882572  0.91926128  1.0
  H  H33  1  0.34520453  0.81470858  0.73411440  1.0
  H  H34  1  0.88582071  0.46924312  0.15532364  1.0
  H  H35  1  0.61733300  0.77142813  0.58625521  1.0
  H  H36  1  0.58567835  0.61754964  0.77131128  1.0
  H  H37  1  0.03061841  0.91830848  0.69038936  1.0