# generated using pymatgen
data_ErH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21503904
_cell_length_b   6.21502456
_cell_length_c   6.49392542
_cell_angle_alpha   90.00003186
_cell_angle_beta   89.99995945
_cell_angle_gamma   120.00012015
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErH3
_chemical_formula_sum   'Er6 H18'
_cell_volume   217.23215589
_cell_formula_units_Z   6
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
  Er  Er0  1  0.33739536  0.33739263  0.75000007  1.0
  Er  Er1  1  0.66261136  0.00000079  0.75000046  1.0
  Er  Er2  1  0.00000164  0.66260983  0.75000009  1.0
  Er  Er3  1  0.33738864  -0.00000079  0.24999954  1.0
  Er  Er4  1  0.99999836  0.33739017  0.24999991  1.0
  Er  Er5  1  0.66260464  0.66260737  0.24999993  1.0
  H  H6  1  0.67964387  0.64736551  0.59016962  1.0
  H  H7  1  0.35263637  0.03227837  0.59016987  1.0
  H  H8  1  0.96772197  0.32035858  0.59016881  1.0
  H  H9  1  0.67964088  0.03227383  0.09016952  1.0
  H  H10  1  0.96772458  0.64736891  0.09017036  1.0
  H  H11  1  0.35262912  0.32035624  0.09016951  1.0
  H  H12  1  0.32035613  0.35263449  0.40983038  1.0
  H  H13  1  0.64736363  0.96772163  0.40983013  1.0
  H  H14  1  0.03227803  0.67964142  0.40983119  1.0
  H  H15  1  0.32035912  0.96772617  0.90983048  1.0
  H  H16  1  0.03227542  0.35263109  0.90982964  1.0
  H  H17  1  0.64737088  0.67964376  0.90983049  1.0
  H  H18  1  0.33333628  0.66666766  0.68828527  1.0
  H  H19  1  0.33333063  0.66666506  0.18827931  1.0
  H  H20  1  0.66666372  0.33333234  0.31171473  1.0
  H  H21  1  0.66666937  0.33333494  0.81172069  1.0
  H  H22  1  0.00000233  0.00000088  0.74999733  1.0
  H  H23  1  0.99999767  0.99999912  0.25000267  1.0