# generated using pymatgen
data_LuH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09483922
_cell_length_b   6.09483799
_cell_length_c   6.37774788
_cell_angle_alpha   90.00010289
_cell_angle_beta   89.99992582
_cell_angle_gamma   119.99991017
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuH3
_chemical_formula_sum   'Lu6 H18'
_cell_volume   205.17422011
_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
  Lu  Lu0  1  0.33761215  0.33761239  0.74999885  1.0
  Lu  Lu1  1  0.66238628  -0.00000028  0.74999999  1.0
  Lu  Lu2  1  -0.00000084  0.66238532  0.74999995  1.0
  Lu  Lu3  1  0.33761372  0.00000028  0.25000001  1.0
  Lu  Lu4  1  0.00000084  0.33761468  0.25000005  1.0
  Lu  Lu5  1  0.66238685  0.66238761  0.25000115  1.0
  H  H6  1  0.68001598  0.64634213  0.58945451  1.0
  H  H7  1  0.35365813  0.03367433  0.58945454  1.0
  H  H8  1  0.96632596  0.31998417  0.58945456  1.0
  H  H9  1  0.68001668  0.03367113  0.08945588  1.0
  H  H10  1  0.96632914  0.64634541  0.08945557  1.0
  H  H11  1  0.35365530  0.31998364  0.08945557  1.0
  H  H12  1  0.31998402  0.35365787  0.41054549  1.0
  H  H13  1  0.64634187  0.96632567  0.41054546  1.0
  H  H14  1  0.03367404  0.68001583  0.41054544  1.0
  H  H15  1  0.31998332  0.96632887  0.91054412  1.0
  H  H16  1  0.03367086  0.35365459  0.91054443  1.0
  H  H17  1  0.64634470  0.68001636  0.91054443  1.0
  H  H18  1  0.00000010  -0.00000009  0.74999657  1.0
  H  H19  1  -0.00000010  0.00000009  0.25000343  1.0
  H  H20  1  0.33333268  0.66666652  0.68852986  1.0
  H  H21  1  0.33333352  0.66666680  0.18852826  1.0
  H  H22  1  0.66666732  0.33333348  0.31147014  1.0
  H  H23  1  0.66666648  0.33333320  0.81147174  1.0