# generated using pymatgen
data_Ni3Cl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.64900686
_cell_length_b   11.64900686
_cell_length_c   6.09164507
_cell_angle_alpha   86.28291031
_cell_angle_beta   86.28291031
_cell_angle_gamma   17.30983132
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3Cl4
_chemical_formula_sum   'Ni6 Cl8'
_cell_volume   245.42569882
_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
  Ni  Ni0  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni1  1  0.62508300  0.62508300  0.12554800  1.0
  Ni  Ni2  1  0.25230300  0.25230300  0.25196400  1.0
  Ni  Ni3  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni4  1  0.74769700  0.74769700  0.74803600  1.0
  Ni  Ni5  1  0.37491700  0.37491700  0.87445200  1.0
  Cl  Cl6  1  0.81241300  0.81241300  0.06308300  1.0
  Cl  Cl7  1  0.44090800  0.44090800  0.16545000  1.0
  Cl  Cl8  1  0.06140700  0.06140700  0.32065700  1.0
  Cl  Cl9  1  0.69285800  0.69285800  0.40894200  1.0
  Cl  Cl10  1  0.30714200  0.30714200  0.59105800  1.0
  Cl  Cl11  1  0.93859300  0.93859300  0.67934300  1.0
  Cl  Cl12  1  0.55909200  0.55909200  0.83455000  1.0
  Cl  Cl13  1  0.18758700  0.18758700  0.93691700  1.0