data_MgSi2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   4.53
_cell_length_c   6.05
_cell_angle_alpha   90.0
_cell_angle_beta   91.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSi2Bi
_chemical_formula_sum   'Mg1 Si2 Bi1'
_cell_volume   88.23
_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  0.0  1.0
  Si  Si2  1  0.18  0.26  0.12  1.0
  Si  Si3  1  0.84  0.26  0.93  1.0
  Bi  Bi0  1  0.51  0.0  0.02  1.0

data_MgSi2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.53
_cell_length_c   6.05
_cell_angle_alpha   90.0
_cell_angle_beta   91.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSi2Bi
_chemical_formula_sum   'Mg1 Si2 Bi1'
_cell_volume   88.23
_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  0.0  0.0  0.0  1.0
  Si  Si1  1  0.18  0.26  0.12  1.0
  Si  Si2  1  0.84  0.26  0.93  1.0
  Bi  Bi3  1  0.51  0.0  0.02  1.0

Mg Si Si Bi