data_LaMnBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26
_cell_length_b   4.44
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   103.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMnBi2
_chemical_formula_sum   'La1 Mn1 Bi2'
_cell_volume   108.04
_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  0.42  0.0  0.86  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.29  0.22  0.27  1.0
  Bi  Bi1  1  0.55  0.22  0.44  1.0

data_LaMnBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   4.44
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   103.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMnBi2
_chemical_formula_sum   'La1 Mn1 Bi2'
_cell_volume   108.04
_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  0.42  0.0  0.86  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.29  0.22  0.27  1.0
  Bi  Bi3  1  0.55  0.22  0.44  1.0

La Mn Bi Bi
La Mn Bi Bi 0 1 o o + 0 1 + o + 1 2 o o o 2 3 o o o 