data_Mg2AgOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   4.95
_cell_angle_alpha   99.93
_cell_angle_beta   99.93
_cell_angle_gamma   31.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2AgOs
_chemical_formula_sum   'Mg2 Ag1 Os1'
_cell_volume   67.53
_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  0.94  0.0  0.71  1.0
  Mg  Mg2  1  0.25  0.0  0.44  1.0
  Ag  Ag0  1  0.71  0.0  0.78  1.0
  Os  Os3  1  0.57  0.0  0.26  1.0

data_Mg2AgOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.95
_cell_length_c   5.13
_cell_angle_alpha   99.93
_cell_angle_beta   105.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2AgOs
_chemical_formula_sum   'Mg2 Ag1 Os1'
_cell_volume   67.53
_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  0.44  0.25  1.0
  Mg  Mg1  1  0.0  0.71  0.94  1.0
  Ag  Ag2  1  0.0  0.78  0.71  1.0
  Os  Os3  1  0.0  0.26  0.57  1.0

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