data_MgSiBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   6.12
_cell_angle_alpha   144.22
_cell_angle_beta   129.82
_cell_angle_gamma   63.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSiBi2
_chemical_formula_sum   'Mg1 Si1 Bi2'
_cell_volume   101.87
_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  Mg2  1  0.0  0.0  0.62  1.0
  Si  Si3  1  0.0  0.6  0.59  1.0
  Bi  Bi0  1  0.0  0.0  0.01  1.0
  Bi  Bi1  1  0.88  0.0  0.65  1.0

data_MgSiBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   5.19
_cell_length_c   6.12
_cell_angle_alpha   115.09
_cell_angle_beta   107.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSiBi2
_chemical_formula_sum   'Mg1 Si1 Bi2'
_cell_volume   101.87
_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  0.38  0.38  0.38  1.0
  Si  Si1  1  0.41  0.01  0.01  1.0
  Bi  Bi2  1  0.24  0.35  0.24  1.0
  Bi  Bi3  1  0.99  0.99  0.99  1.0

Mg Si Bi Bi