data_LaCrBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCrBi
_chemical_formula_sum   'La1 Cr1 Bi1'
_cell_volume   78.58
_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  0.69  0.09  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.33  0.34  0.0  1.0

data_LaCrBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCrBi
_chemical_formula_sum   'La1 Cr1 Bi1'
_cell_volume   78.58
_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  0.09  0.0  0.69  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  -0.0  0.33  0.34  1.0

La Cr Bi
La Cr Bi 0 1 o + o 1 2 o o o 