# generated using pymatgen
data_TmLu(NiH3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73935023
_cell_length_b   5.73934925
_cell_length_c   4.43663774
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   143.54144395
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmLu(NiH3)2
_chemical_formula_sum   'Tm1 Lu1 Ni2 H6'
_cell_volume   86.84445419
_cell_formula_units_Z   1
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
  Tm  Tm0  1  0.13397772  0.86602228  0.25000000  1.0
  Lu  Lu1  1  0.86618173  0.13381827  0.75000000  1.0
  Ni  Ni2  1  0.57853274  0.42146726  0.75000000  1.0
  Ni  Ni3  1  0.42107093  0.57892907  0.25000000  1.0
  H  H4  1  0.07037021  0.92962979  0.75000000  1.0
  H  H5  1  0.92766915  0.07233085  0.25000000  1.0
  H  H6  1  0.68594904  0.31405096  0.50247251  1.0
  H  H7  1  0.31514872  0.68485128  0.50134497  1.0
  H  H8  1  0.68594904  0.31405096  0.99752749  1.0
  H  H9  1  0.31514872  0.68485128  0.99865503  1.0