# generated using pymatgen
data_TaN2Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.54070225
_cell_length_b   10.54070225
_cell_length_c   10.54070225
_cell_angle_alpha   140.02971360
_cell_angle_beta   140.02971360
_cell_angle_gamma   57.80818553
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaN2Cl5
_chemical_formula_sum   'Ta2 N4 Cl10'
_cell_volume   479.04286212
_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
  Ta  Ta0  1  0.88401700  0.88401700  0.00000000  1.0
  Ta  Ta1  1  0.11598300  0.11598300  0.00000000  1.0
  N  N2  1  0.00000000  0.00000000  0.00000000  1.0
  N  N3  1  0.75000000  0.25000000  0.50000000  1.0
  N  N4  1  0.25000000  0.75000000  0.50000000  1.0
  N  N5  1  0.50000000  0.50000000  0.00000000  1.0
  Cl  Cl6  1  0.12749500  0.12749500  0.45914700  1.0
  Cl  Cl7  1  0.66834700  0.66834700  0.54085300  1.0
  Cl  Cl8  1  0.12749500  0.66834700  0.00000000  1.0
  Cl  Cl9  1  0.66834700  0.12749500  0.00000000  1.0
  Cl  Cl10  1  0.87250500  0.87250500  0.54085300  1.0
  Cl  Cl11  1  0.33165300  0.33165300  0.45914700  1.0
  Cl  Cl12  1  0.87250500  0.33165300  0.00000000  1.0
  Cl  Cl13  1  0.33165300  0.87250500  0.00000000  1.0
  Cl  Cl14  1  0.75825700  0.75825700  0.00000000  1.0
  Cl  Cl15  1  0.24174300  0.24174300  0.00000000  1.0