data_LaY2B
_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   149.65
_cell_angle_beta   131.72
_cell_angle_gamma   58.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaY2B
_chemical_formula_sum   'La1 Y2 B1'
_cell_volume   103.91
_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  La1  1  0.0  0.0  0.7  1.0
  Y  Y2  1  0.0  0.67  0.69  1.0
  Y  Y3  1  0.71  0.0  0.01  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_LaY2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   5.34
_cell_length_c   6.52
_cell_angle_alpha   114.14
_cell_angle_beta   105.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaY2B
_chemical_formula_sum   'La1 Y2 B1'
_cell_volume   103.91
_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  0.7  0.7  1.0
  Y  Y1  1  0.0  0.01  0.3  1.0
  Y  Y2  1  0.33  0.02  0.02  1.0
  B  B3  1  0.0  0.0  0.0  1.0

La Y Y B