data_MgMnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   146.66
_cell_angle_beta   139.89
_cell_angle_gamma   53.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMnBi
_chemical_formula_sum   'Mg1 Mn1 Bi1'
_cell_volume   65.63
_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
  Mg  Mg1  1  0.0  0.0  0.23  1.0
  Mn  Mn2  1  0.0  0.0  0.87  1.0
  Bi  Bi0  1  0.0  0.0  0.13  1.0

data_MgMnBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   3.92
_cell_length_c   5.71
_cell_angle_alpha   110.06
_cell_angle_beta   106.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMnBi
_chemical_formula_sum   'Mg1 Mn1 Bi1'
_cell_volume   65.63
_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
  Mg  Mg0  1  0.77  0.77  0.77  1.0
  Mn  Mn1  1  0.13  0.13  0.13  1.0
  Bi  Bi2  1  0.87  0.87  0.87  1.0

Mg Mn Bi
Mg Mn Bi 0 2 o o o 1 2 o o + 