data_YBiCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   3.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBiCl
_chemical_formula_sum   'Y1 Bi1 Cl1'
_cell_volume   79.0
_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  Y2  1  0.5  0.44  0.0  1.0
  Bi  Bi0  1  1.0  0.88  0.83  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_YBiCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBiCl
_chemical_formula_sum   'Y1 Bi1 Cl1'
_cell_volume   79.0
_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  Y0  1  0.0  0.5  0.44  1.0
  Bi  Bi1  1  0.83  1.0  0.88  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

Y Bi Cl
Y Bi Cl 0 1 - - - 0 1 o o - 0 2 o o o 0 2 + + o 1 2 + + + 