data_MgZn2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   4.12
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZn2Os
_chemical_formula_sum   'Mg1 Zn2 Os1'
_cell_volume   60.71
_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  0.78  1.0
  Zn  Zn2  1  0.0  0.0  0.39  1.0
  Zn  Zn3  1  0.35  0.06  0.34  1.0
  Os  Os1  1  0.35  0.06  0.1  1.0

data_MgZn2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.12
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZn2Os
_chemical_formula_sum   'Mg1 Zn2 Os1'
_cell_volume   60.71
_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  0.78  1.0
  Zn  Zn1  1  0.0  0.0  0.39  1.0
  Zn  Zn2  1  0.35  0.06  0.34  1.0
  Os  Os3  1  0.35  0.06  0.1  1.0

Mg Zn Zn Os
Mg Zn Zn Os 0 3 - o + 0 3 o o + 0 1 o o o 1 2 o o o 2 3 o o o 