[CIF]
data_CaCr2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13665664
_cell_length_b   5.13665664
_cell_length_c   2.93043994
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   115.34105871
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCr2Cl
_chemical_formula_sum   'Ca1 Cr2 Cl1'
_cell_volume   69.88029592
_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
  Ca  Ca0  1  2.74701744  -0.00000000  0.00000000  1
  Cl  Cl1  1  0.00000000  0.00000000  0.00000000  1
  Cr  Cr2  1  1.37350872  2.17020372  1.46521997  1
  Cr  Cr3  1  1.37350872  -2.17020371  1.46521997  1
[/CIF]
