data_MnAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   4.7
_cell_length_c   4.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAg
_chemical_formula_sum   'Mn2 Ag2'
_cell_volume   66.99
_cell_formula_units_Z   2
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  0.46  0.35  0.46  1.0
  Mn  Mn3  1  0.0  0.0  0.4  1.0
  Ag  Ag0  1  0.46  0.0  0.88  1.0
  Ag  Ag1  1  0.0  0.35  0.99  1.0

data_MnAg
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.93
_cell_length_b   4.7
_cell_length_c   4.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MnAg
_chemical_formula_sum   'Mn2 Ag2'
_cell_volume   66.99
_cell_formula_units_Z   2
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
  Mn  Mn0  2  0.23  0.18  0.03  1.0
  Ag  Ag1  2  0.23  0.82  0.44  1.0

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