# generated using pymatgen
data_Ti4InHgN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09187491
_cell_length_b   3.09187694
_cell_length_c   13.83259853
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00029235
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4InHgN2
_chemical_formula_sum   'Ti4 In1 Hg1 N2'
_cell_volume   114.51891907
_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
  Ti  Ti0  1  0.33332645  0.66667203  0.92253313  1.0
  Ti  Ti1  1  0.66667393  0.33333010  0.08057530  1.0
  Ti  Ti2  1  0.66667393  0.33333010  0.41942470  1.0
  Ti  Ti3  1  0.33332645  0.66667203  0.57746687  1.0
  In  In4  1  0.66666756  0.33333586  0.75000000  1.0
  Hg  Hg5  1  0.33333905  0.66666689  0.25000000  1.0
  N  N6  1  0.99999631  0.99999650  0.49746744  1.0
  N  N7  1  0.99999631  0.99999650  0.00253256  1.0