data_LiY2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95
_cell_length_b   4.23
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   104.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiY2B
_chemical_formula_sum   'Li1 Y2 B1'
_cell_volume   79.35
_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
  Li  Li1  1  0.67  0.0  0.53  1.0
  Y  Y2  1  0.9  0.11  0.31  1.0
  Y  Y3  1  0.48  0.0  0.69  1.0
  B  B0  1  0.79  0.11  0.34  1.0

data_LiY2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   4.23
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   104.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiY2B
_chemical_formula_sum   'Li1 Y2 B1'
_cell_volume   79.35
_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
  Li  Li0  1  0.67  0.0  0.53  1.0
  Y  Y1  1  0.48  0.0  0.69  1.0
  Y  Y2  1  0.9  0.11  0.31  1.0
  B  B3  1  0.79  0.11  0.34  1.0

Li Y Y B
Li Y Y B 0 2 o o o 0 3 o o o 1 3 o o o 