data_LaYBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   5.77
_cell_angle_alpha   129.64
_cell_angle_beta   115.82
_cell_angle_gamma   85.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaYBi2
_chemical_formula_sum   'La1 Y1 Bi2'
_cell_volume   127.25
_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  0.0  0.0  0.23  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.07  0.17  1.0
  Bi  Bi1  1  0.46  0.0  0.05  1.0

data_LaYBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.91
_cell_length_b   5.77
_cell_length_c   5.77
_cell_angle_alpha   64.18
_cell_angle_beta   64.82
_cell_angle_gamma   64.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaYBi2
_chemical_formula_sum   'La1 Y1 Bi2'
_cell_volume   127.25
_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  0.23  0.0  0.77  1.0
  Y  Y1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.17  0.0  0.89  1.0
  Bi  Bi3  1  0.6  0.46  0.95  1.0

La Y Bi Bi
La Y Bi Bi 0 2 o o o 0 3 o o o 0 3 - o o 1 2 o o o 1 3 o o o 2 3 o o o 2 3 - o o 