# generated using pymatgen
data_Sc4ReSi3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71475570
_cell_length_b   7.71475519
_cell_length_c   5.44266382
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000641
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4ReSi3H
_chemical_formula_sum   'Sc8 Re2 Si6 H2'
_cell_volume   280.53460524
_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
  Sc  Sc0  1  0.33333300  0.66666700  0.50000000  1.0
  Sc  Sc1  1  0.66666700  0.33333300  0.50000000  1.0
  Sc  Sc2  1  0.75383969  0.75383969  0.75546921  1.0
  Sc  Sc3  1  0.24616031  0.00000000  0.75546921  1.0
  Sc  Sc4  1  0.00000000  0.24616031  0.75546921  1.0
  Sc  Sc5  1  0.24616031  0.24616031  0.24453079  1.0
  Sc  Sc6  1  0.75383969  1.00000000  0.24453079  1.0
  Sc  Sc7  1  1.00000000  0.75383969  0.24453079  1.0
  Re  Re8  1  0.66666700  0.33333300  0.00000000  1.0
  Re  Re9  1  0.33333300  0.66666700  0.00000000  1.0
  Si  Si10  1  0.39964435  0.39964435  0.78613204  1.0
  Si  Si11  1  0.60035565  0.00000000  0.78613204  1.0
  Si  Si12  1  0.00000000  0.60035565  0.78613204  1.0
  Si  Si13  1  0.60035565  0.60035565  0.21386796  1.0
  Si  Si14  1  0.39964435  1.00000000  0.21386796  1.0
  Si  Si15  1  1.00000000  0.39964435  0.21386796  1.0
  H  H16  1  0.00000000  0.00000000  0.50000000  1.0
  H  H17  1  0.00000000  0.00000000  0.00000000  1.0