data_MgBi2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   6.13
_cell_angle_alpha   100.57
_cell_angle_beta   100.57
_cell_angle_gamma   42.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBi2Os
_chemical_formula_sum   'Mg1 Bi2 Os1'
_cell_volume   92.92
_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  0.0  1.0
  Bi  Bi0  1  0.46  0.0  0.65  1.0
  Bi  Bi1  1  0.19  0.0  0.36  1.0
  Os  Os3  1  0.83  0.0  0.0  1.0

data_MgBi2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   4.76
_cell_length_c   6.13
_cell_angle_alpha   100.57
_cell_angle_beta   90.0
_cell_angle_gamma   111.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBi2Os
_chemical_formula_sum   'Mg1 Bi2 Os1'
_cell_volume   92.92
_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
  Bi  Bi1  1  0.0  0.54  0.35  1.0
  Bi  Bi2  1  0.0  0.81  0.64  1.0
  Os  Os3  1  0.0  0.17  1.0  1.0

Mg Bi Bi Os