data_LaYCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   6.19
_cell_angle_alpha   101.66
_cell_angle_beta   101.66
_cell_angle_gamma   43.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaYCl2
_chemical_formula_sum   'La1 Y1 Cl2'
_cell_volume   98.42
_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
  La  La2  1  0.87  0.0  0.02  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.23  0.0  0.61  1.0
  Cl  Cl1  1  0.51  0.0  0.44  1.0

data_LaYCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   4.88
_cell_length_c   6.19
_cell_angle_alpha   101.66
_cell_angle_beta   90.0
_cell_angle_gamma   111.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaYCl2
_chemical_formula_sum   'La1 Y1 Cl2'
_cell_volume   98.42
_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
  La  La0  1  0.0  0.13  0.98  1.0
  Y  Y1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.0  0.49  0.56  1.0
  Cl  Cl3  1  0.0  0.77  0.39  1.0

La Y Cl Cl