data_LiMn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   3.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn2Bi
_chemical_formula_sum   'Li1 Mn2 Bi1'
_cell_volume   77.2
_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
  Li  Li1  1  0.0  0.0  0.0  1.0
  Mn  Mn2  1  0.45  0.74  0.91  1.0
  Mn  Mn3  1  0.45  0.26  0.91  1.0
  Bi  Bi0  1  0.91  0.0  0.0  1.0

data_LiMn2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   100.13
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn2Bi
_chemical_formula_sum   'Li1 Mn2 Bi1'
_cell_volume   77.2
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.91  0.45  0.26  1.0
  Mn  Mn2  1  0.91  0.45  0.74  1.0
  Bi  Bi3  1  0.0  0.91  0.0  1.0

Li Mn Mn Bi