data_LiY2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52
_cell_length_b   6.52
_cell_length_c   6.52
_cell_angle_alpha   141.69
_cell_angle_beta   141.69
_cell_angle_gamma   55.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiY2Br
_chemical_formula_sum   'Li1 Y2 Br1'
_cell_volume   105.93
_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
  Li  Li1  1  0.0  0.0  0.0  1.0
  Y  Y2  1  0.14  0.0  0.89  1.0
  Y  Y3  1  0.0  0.0  0.78  1.0
  Br  Br0  1  0.0  0.14  0.89  1.0

data_LiY2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   6.52
_cell_angle_alpha   109.16
_cell_angle_beta   109.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiY2Br
_chemical_formula_sum   'Li1 Y2 Br1'
_cell_volume   105.93
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Y  Y1  1  0.11  0.0  0.25  1.0
  Y  Y2  1  0.22  0.0  0.22  1.0
  Br  Br3  1  0.25  0.14  0.25  1.0

Li Y Y Br