# generated using pymatgen
data_ZrH
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57520655
_cell_length_b   4.57639752
_cell_length_c   5.00147457
_cell_angle_alpha   89.99896257
_cell_angle_beta   90.00029697
_cell_angle_gamma   89.99691290
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrH
_chemical_formula_sum   'Zr4 H4'
_cell_volume   104.72069396
_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
  Zr  Zr0  1  0.74999753  0.24999460  0.74999902  1.0
  Zr  Zr1  1  0.25000300  0.75000483  0.75000096  1.0
  Zr  Zr2  1  0.25000079  0.25000053  0.24997737  1.0
  Zr  Zr3  1  0.74999904  0.74999946  0.25002236  1.0
  H  H4  1  0.49998457  0.49999370  0.49998349  1.0
  H  H5  1  0.99999016  0.99999330  0.00001640  1.0
  H  H6  1  0.50001511  0.50000650  0.00001663  1.0
  H  H7  1  0.00000980  0.00000606  0.49998378  1.0