data_CaYCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   6.27
_cell_angle_alpha   102.33
_cell_angle_beta   102.33
_cell_angle_gamma   43.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaYCl2
_chemical_formula_sum   'Ca1 Y1 Cl2'
_cell_volume   97.35
_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  0.0  0.0  0.0  1.0
  Y  Y3  1  0.74  0.0  0.05  1.0
  Cl  Cl1  1  0.36  0.0  0.63  1.0
  Cl  Cl2  1  0.13  0.0  0.48  1.0

data_CaYCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   4.81
_cell_length_c   6.27
_cell_angle_alpha   102.33
_cell_angle_beta   90.0
_cell_angle_gamma   111.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaYCl2
_chemical_formula_sum   'Ca1 Y1 Cl2'
_cell_volume   97.35
_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  0.0  0.0  0.0  1.0
  Y  Y1  1  0.0  0.26  0.95  1.0
  Cl  Cl2  1  0.0  0.64  0.37  1.0
  Cl  Cl3  1  0.0  0.87  0.52  1.0

Ca Y Cl Cl