data_Mn2SiBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   5.32
_cell_angle_alpha   103.92
_cell_angle_beta   103.92
_cell_angle_gamma   45.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2SiBi
_chemical_formula_sum   'Mn2 Si1 Bi1'
_cell_volume   72.95
_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
  Mn  Mn1  1  0.81  0.0  0.81  1.0
  Mn  Mn2  1  0.01  0.0  0.53  1.0
  Si  Si3  1  0.44  0.0  0.4  1.0
  Bi  Bi0  1  0.86  0.0  0.1  1.0

data_Mn2SiBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.46
_cell_length_c   5.32
_cell_angle_alpha   103.92
_cell_angle_beta   90.0
_cell_angle_gamma   112.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2SiBi
_chemical_formula_sum   'Mn2 Si1 Bi1'
_cell_volume   72.95
_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
  Mn  Mn0  1  0.0  0.19  0.19  1.0
  Mn  Mn1  1  0.0  0.99  0.47  1.0
  Si  Si2  1  0.0  0.56  0.6  1.0
  Bi  Bi3  1  0.0  0.14  0.9  1.0

Mn Mn Si Bi
Mn Mn Si Bi 0 3 o o + 0 1 + o o 0 2 o o o 1 3 - o o 1 2 o o o 1 2 - o o 2 3 - o o 2 3 o o o 