data_YCoCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.98
_cell_length_b   9.98
_cell_length_c   9.98
_cell_angle_alpha   20.25
_cell_angle_beta   20.25
_cell_angle_gamma   20.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCoCl2
_chemical_formula_sum   'Y1 Co1 Cl2'
_cell_volume   104.17
_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
  Y  Y3  1  0.0  0.0  0.66  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.62  1.0
  Cl  Cl1  1  0.0  0.0  0.69  1.0

data_YCoCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.08
_cell_length_b   3.51
_cell_length_c   9.98
_cell_angle_alpha   90.0
_cell_angle_beta   101.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YCoCl2
_chemical_formula_sum   'Y2 Co2 Cl4'
_cell_volume   208.34
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Y  Y0  2  0.0  0.0  0.34  1.0
  Co  Co1  2  0.0  0.0  0.0  1.0
  Cl  Cl2  2  0.0  0.0  0.31  1.0
  Cl  Cl3  2  0.0  0.0  0.38  1.0

Y Co Cl Cl
Y Co Cl Cl 0 2 o o o 0 3 o o o 0 1 o o + 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o - 1 2 o o - 