data_LaMn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.83
_cell_angle_alpha   105.29
_cell_angle_beta   105.29
_cell_angle_gamma   42.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMn2Bi
_chemical_formula_sum   'La1 Mn2 Bi1'
_cell_volume   96.1
_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  0.0  1.0
  Mn  Mn2  1  0.18  0.0  0.81  1.0
  Mn  Mn3  1  0.61  0.0  0.78  1.0
  Bi  Bi0  1  0.9  0.0  0.8  1.0

data_LaMn2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   5.06
_cell_length_c   5.83
_cell_angle_alpha   105.29
_cell_angle_beta   90.0
_cell_angle_gamma   111.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMn2Bi
_chemical_formula_sum   'La1 Mn2 Bi1'
_cell_volume   96.1
_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  0.0  0.0  1.0
  Mn  Mn1  1  0.0  0.39  0.22  1.0
  Mn  Mn2  1  0.0  0.82  0.19  1.0
  Bi  Bi3  1  0.0  0.1  0.2  1.0

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