data_Mn3Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   131.02
_cell_angle_beta   131.02
_cell_angle_gamma   71.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Ag
_chemical_formula_sum   'Mn3 Ag1'
_cell_volume   56.24
_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  Mn1  1  0.93  0.0  0.89  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Mn  Mn3  1  0.0  0.93  0.89  1.0
  Ag  Ag0  1  0.0  0.0  0.77  1.0

data_Mn3Ag
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   4.66
_cell_angle_alpha   90.0
_cell_angle_beta   125.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn3Ag
_chemical_formula_sum   'Mn6 Ag2'
_cell_volume   112.48
_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
  Mn  Mn0  4  0.08  0.03  0.04  1.0
  Mn  Mn1  2  0.0  0.0  0.0  1.0
  Ag  Ag2  2  0.23  0.0  0.23  1.0

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