data_AgMo2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.64
_cell_length_b   9.64
_cell_length_c   9.64
_cell_angle_alpha   16.58
_cell_angle_beta   16.58
_cell_angle_gamma   16.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgMo2Os
_chemical_formula_sum   'Ag1 Mo2 Os1'
_cell_volume   63.67
_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
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.0  0.53  1.0
  Mo  Mo2  1  0.0  0.0  0.99  1.0
  Os  Os3  1  0.0  0.0  0.26  1.0

data_AgMo2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.82
_cell_length_b   2.78
_cell_length_c   9.64
_cell_angle_alpha   90.0
_cell_angle_beta   99.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AgMo2Os
_chemical_formula_sum   'Ag2 Mo4 Os2'
_cell_volume   127.33
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ag  Ag0  2  0.0  0.0  0.0  1.0
  Mo  Mo1  2  0.0  0.0  0.01  1.0
  Mo  Mo2  2  0.0  0.0  0.47  1.0
  Os  Os3  2  0.0  0.0  0.74  1.0

Ag Mo Mo Os
Ag Mo Mo Os 0 2 o o - 0 3 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o o 2 3 o o + 3 3 o + - 3 3 + - o 3 3 + o - 