# generated using pymatgen
data_Nd5Si2HgH
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.01412141
_cell_length_b   9.01412175
_cell_length_c   9.01412138
_cell_angle_alpha   127.71503650
_cell_angle_beta   127.71503103
_cell_angle_gamma   77.08711704
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd5Si2HgH
_chemical_formula_sum   'Nd10 Si4 Hg2 H2'
_cell_volume   444.84674606
_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
  Nd  Nd0  1  0.50000000  0.50000000  0.00000000  1.0
  Nd  Nd1  1  0.00000000  0.00000000  0.00000000  1.0
  Nd  Nd2  1  0.52648523  0.02648523  0.84185436  1.0
  Nd  Nd3  1  0.18463188  0.68463188  0.15814564  1.0
  Nd  Nd4  1  0.02648523  0.18463188  0.50000000  1.0
  Nd  Nd5  1  0.68463188  0.52648523  0.50000000  1.0
  Nd  Nd6  1  0.47351477  0.97351477  0.15814564  1.0
  Nd  Nd7  1  0.81536812  0.31536812  0.84185436  1.0
  Nd  Nd8  1  0.97351477  0.81536812  0.50000000  1.0
  Nd  Nd9  1  0.31536812  0.47351477  0.50000000  1.0
  Si  Si10  1  0.88418565  0.38418565  0.26837030  1.0
  Si  Si11  1  0.11581435  0.61581435  0.73162970  1.0
  Si  Si12  1  0.38418565  0.11581435  0.50000000  1.0
  Si  Si13  1  0.61581435  0.88418565  0.50000000  1.0
  Hg  Hg14  1  0.25000000  0.25000000  0.00000000  1.0
  Hg  Hg15  1  0.75000000  0.75000000  0.00000000  1.0
  H  H16  1  0.25000000  0.75000000  0.50000000  1.0
  H  H17  1  0.75000000  0.25000000  0.50000000  1.0