data_MnAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.87
_cell_angle_alpha   100.78
_cell_angle_beta   100.78
_cell_angle_gamma   34.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAg
_chemical_formula_sum   'Mn2 Ag2'
_cell_volume   66.06
_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  0.86  0.0  0.75  1.0
  Mn  Mn3  1  0.69  0.0  0.02  1.0
  Ag  Ag0  1  0.45  0.0  0.67  1.0
  Ag  Ag1  1  0.09  0.0  0.11  1.0

data_MnAg
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.91
_cell_length_b   4.87
_cell_length_c   4.97
_cell_angle_alpha   100.78
_cell_angle_beta   107.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MnAg
_chemical_formula_sum   'Mn2 Ag2'
_cell_volume   66.06
_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  0.0  0.37  0.59  1.0
  Ag  Ag1  2  0.0  0.28  0.18  1.0

Mn Mn Ag Ag