# generated using pymatgen
data_CrCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.52030716
_cell_length_b   10.52030716
_cell_length_c   7.85033943
_cell_angle_alpha   70.82194160
_cell_angle_beta   70.82194160
_cell_angle_gamma   111.23626497
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCl3
_chemical_formula_sum   'Cr6 Cl18'
_cell_volume   658.71989783
_cell_formula_units_Z   6
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
  Cr  Cr0  1  0.60996800  0.39003200  0.50000000  1.0
  Cr  Cr1  1  0.10528100  0.89471900  0.00000000  1.0
  Cr  Cr2  1  0.00000000  0.00000000  0.50000000  1.0
  Cr  Cr3  1  0.50000000  0.50000000  0.00000000  1.0
  Cr  Cr4  1  0.39003200  0.60996800  0.50000000  1.0
  Cr  Cr5  1  0.89471900  0.10528100  0.00000000  1.0
  Cl  Cl6  1  0.63950200  0.01689800  0.12507100  1.0
  Cl  Cl7  1  0.98310200  0.36049800  0.87492900  1.0
  Cl  Cl8  1  0.60710300  0.25315100  0.34648200  1.0
  Cl  Cl9  1  0.74684900  0.39289700  0.65351800  1.0
  Cl  Cl10  1  0.08268600  0.87449700  0.32411600  1.0
  Cl  Cl11  1  0.12550300  0.91731400  0.67588400  1.0
  Cl  Cl12  1  0.84308800  0.84308800  0.13028300  1.0
  Cl  Cl13  1  0.15691200  0.15691200  0.86971700  1.0
  Cl  Cl14  1  0.74007800  0.74007800  0.74171600  1.0
  Cl  Cl15  1  0.25992200  0.25992200  0.25828400  1.0
  Cl  Cl16  1  0.53447700  0.53447700  0.27749900  1.0
  Cl  Cl17  1  0.46552300  0.46552300  0.72250100  1.0
  Cl  Cl18  1  0.01689800  0.63950200  0.12507100  1.0
  Cl  Cl19  1  0.36049800  0.98310200  0.87492900  1.0
  Cl  Cl20  1  0.25315100  0.60710300  0.34648200  1.0
  Cl  Cl21  1  0.39289700  0.74684900  0.65351800  1.0
  Cl  Cl22  1  0.87449700  0.08268600  0.32411600  1.0
  Cl  Cl23  1  0.91731400  0.12550300  0.67588400  1.0