# generated using pymatgen
data_Sc2ReH6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78060050
_cell_length_b   4.78060046
_cell_length_c   4.78060111
_cell_angle_alpha   119.99999763
_cell_angle_beta   119.99999739
_cell_angle_gamma   89.99999961
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2ReH6
_chemical_formula_sum   'Sc2 Re1 H6'
_cell_volume   77.25604044
_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
  Sc  Sc0  1  0.74999800  0.24999900  0.49999900  1.0
  Sc  Sc1  1  0.24999900  0.74999800  0.49999900  1.0
  Re  Re2  1  0.00000000  0.00000000  0.00000000  1.0
  H  H3  1  0.25887155  0.25887155  0.00000000  1.0
  H  H4  1  0.74112645  0.25887355  0.00000000  1.0
  H  H5  1  0.25887355  0.74112645  0.00000000  1.0
  H  H6  1  0.74112645  0.74112645  0.00000000  1.0
  H  H7  1  0.74112845  0.74112845  0.48225390  1.0
  H  H8  1  0.25887155  0.25887155  0.51774310  1.0