# generated using pymatgen
data_La3ReH12Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99332375
_cell_length_b   4.99332266
_cell_length_c   8.82263180
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999399
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3ReH12Ir
_chemical_formula_sum   'La3 Re1 H12 Ir1'
_cell_volume   190.50578518
_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
  La  La0  1  0.00000000  0.00000000  0.95606566  1.0
  La  La1  1  0.66666700  0.33333300  0.36389669  1.0
  La  La2  1  0.33333300  0.66666700  0.63827391  1.0
  Re  Re3  1  0.66666700  0.33333300  0.76432637  1.0
  H  H4  1  0.17405220  0.82594780  0.35930708  1.0
  H  H5  1  0.65189360  0.82594780  0.35930708  1.0
  H  H6  1  0.17405220  0.34810640  0.35930708  1.0
  H  H7  1  0.82992078  0.17007922  0.64272660  1.0
  H  H8  1  0.34015944  0.17007922  0.64272660  1.0
  H  H9  1  0.82992078  0.65984056  0.64272660  1.0
  H  H10  1  0.49934906  0.99869812  0.87891375  1.0
  H  H11  1  0.49934906  0.50065094  0.87891375  1.0
  H  H12  1  0.00130188  0.50065094  0.87891375  1.0
  H  H13  1  0.48787565  0.97575229  0.13042915  1.0
  H  H14  1  0.48787565  0.51212435  0.13042915  1.0
  H  H15  1  0.02424771  0.51212435  0.13042915  1.0
  Ir  Ir16  1  0.33333300  0.66666700  0.24330662  1.0