data_MnAg2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   5.06
_cell_angle_alpha   100.21
_cell_angle_beta   100.21
_cell_angle_gamma   33.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAg2Os
_chemical_formula_sum   'Mn1 Ag2 Os1'
_cell_volume   63.69
_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
  Mn  Mn2  1  0.08  0.0  0.33  1.0
  Ag  Ag0  1  0.1  0.0  0.95  1.0
  Ag  Ag1  1  0.56  0.0  0.77  1.0
  Os  Os3  1  0.76  0.0  0.39  1.0

data_MnAg2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.82
_cell_length_c   5.06
_cell_angle_alpha   100.21
_cell_angle_beta   90.0
_cell_angle_gamma   106.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAg2Os
_chemical_formula_sum   'Mn1 Ag2 Os1'
_cell_volume   63.69
_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
  Mn  Mn0  1  0.0  0.92  0.67  1.0
  Ag  Ag1  1  0.0  0.44  0.23  1.0
  Ag  Ag2  1  0.0  0.9  0.05  1.0
  Os  Os3  1  0.0  0.24  0.61  1.0

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