# generated using pymatgen
data_Tc(NCl3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87103296
_cell_length_b   6.87103296
_cell_length_c   6.87103296
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc(NCl3)2
_chemical_formula_sum   'Tc1 N2 Cl6'
_cell_volume   229.37764932
_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
  Tc  Tc0  1  0.00000000  0.00000000  0.00000000  1.0
  N  N1  1  0.25000000  0.25000000  0.25000000  1.0
  N  N2  1  0.75000000  0.75000000  0.75000000  1.0
  Cl  Cl3  1  0.76296100  0.23703900  0.23703900  1.0
  Cl  Cl4  1  0.23703900  0.76296100  0.76296100  1.0
  Cl  Cl5  1  0.23703900  0.76296100  0.23703900  1.0
  Cl  Cl6  1  0.76296100  0.23703900  0.76296100  1.0
  Cl  Cl7  1  0.23703900  0.23703900  0.76296100  1.0
  Cl  Cl8  1  0.76296100  0.76296100  0.23703900  1.0