data_MgAg2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   2.77
_cell_length_c   9.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAg2Os
_chemical_formula_sum   'Mg1 Ag2 Os1'
_cell_volume   67.01
_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
  Ag  Ag0  1  0.5  0.0  0.24  1.0
  Ag  Ag1  1  0.5  0.0  0.33  1.0
  Os  Os3  1  0.0  0.0  0.79  1.0

data_MgAg2Os
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.77
_cell_length_b   9.58
_cell_length_c   2.77
_cell_angle_alpha   90.0
_cell_angle_beta   114.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   MgAg2Os
_chemical_formula_sum   'Mg1 Ag2 Os1'
_cell_volume   67.01
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ag  Ag1  1  0.5  0.67  0.0  1.0
  Ag  Ag2  1  0.5  0.76  0.0  1.0
  Os  Os3  1  0.0  0.21  0.0  1.0

Mg Ag Ag Os
Mg Ag Ag Os 0 3 o o - 1 2 o o o 