# generated using pymatgen
data_Er2Fe17H3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.52308154
_cell_length_b   8.52308154
_cell_length_c   8.19059300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999643
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er2Fe17H3
_chemical_formula_sum   'Er4 Fe34 H6'
_cell_volume   515.27524673
_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
  Er  Er0  1  0.33333300  0.66666700  0.25000000  1.0
  Er  Er1  1  0.66666700  0.33333300  0.75000000  1.0
  Er  Er2  1  0.00000000  0.00000000  0.25000000  1.0
  Er  Er3  1  0.00000000  0.00000000  0.75000000  1.0
  Fe  Fe4  1  0.37748300  0.04895300  0.25000000  1.0
  Fe  Fe5  1  0.62251700  0.95104700  0.75000000  1.0
  Fe  Fe6  1  0.95104700  0.32853100  0.25000000  1.0
  Fe  Fe7  1  0.04895300  0.37748300  0.75000000  1.0
  Fe  Fe8  1  0.04895300  0.67146900  0.75000000  1.0
  Fe  Fe9  1  0.95104700  0.62251700  0.25000000  1.0
  Fe  Fe10  1  0.67146900  0.62251700  0.25000000  1.0
  Fe  Fe11  1  0.32853100  0.95104700  0.75000000  1.0
  Fe  Fe12  1  0.32853100  0.37748300  0.75000000  1.0
  Fe  Fe13  1  0.67146900  0.04895300  0.25000000  1.0
  Fe  Fe14  1  0.62251700  0.67146900  0.75000000  1.0
  Fe  Fe15  1  0.37748300  0.32853100  0.25000000  1.0
  Fe  Fe16  1  0.33333300  0.66666700  0.60412900  1.0
  Fe  Fe17  1  0.66666700  0.33333300  0.39587100  1.0
  Fe  Fe18  1  0.66666700  0.33333300  0.10412900  1.0
  Fe  Fe19  1  0.33333300  0.66666700  0.89587100  1.0
  Fe  Fe20  1  0.16677400  0.33354700  0.01802000  1.0
  Fe  Fe21  1  0.83322600  0.66645300  0.98198000  1.0
  Fe  Fe22  1  0.66645300  0.83322600  0.01802000  1.0
  Fe  Fe23  1  0.83322600  0.66645300  0.51802000  1.0
  Fe  Fe24  1  0.33354700  0.16677400  0.98198000  1.0
  Fe  Fe25  1  0.16677400  0.33354700  0.48198000  1.0
  Fe  Fe26  1  0.16677400  0.83322600  0.01802000  1.0
  Fe  Fe27  1  0.33354700  0.16677400  0.51802000  1.0
  Fe  Fe28  1  0.83322600  0.16677400  0.98198000  1.0
  Fe  Fe29  1  0.66645300  0.83322600  0.48198000  1.0
  Fe  Fe30  1  0.83322600  0.16677400  0.51802000  1.0
  Fe  Fe31  1  0.16677400  0.83322600  0.48198000  1.0
  Fe  Fe32  1  0.50000000  0.00000000  0.00000000  1.0
  Fe  Fe33  1  0.00000000  0.50000000  0.00000000  1.0
  Fe  Fe34  1  0.50000000  0.00000000  0.50000000  1.0
  Fe  Fe35  1  0.50000000  0.50000000  0.00000000  1.0
  Fe  Fe36  1  0.00000000  0.50000000  0.50000000  1.0
  Fe  Fe37  1  0.50000000  0.50000000  0.50000000  1.0
  H  H38  1  0.16475400  0.32950800  0.25000000  1.0
  H  H39  1  0.83524600  0.67049200  0.75000000  1.0
  H  H40  1  0.67049200  0.83524600  0.25000000  1.0
  H  H41  1  0.32950800  0.16475400  0.75000000  1.0
  H  H42  1  0.16475400  0.83524600  0.25000000  1.0
  H  H43  1  0.83524600  0.16475400  0.75000000  1.0