data_Mn2ZnAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   2.77
_cell_length_c   7.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2ZnAg
_chemical_formula_sum   'Mn2 Zn1 Ag1'
_cell_volume   53.98
_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  0.0  0.0  0.37  1.0
  Mn  Mn2  1  0.39  0.39  0.55  1.0
  Zn  Zn3  1  0.0  0.0  0.3  1.0
  Ag  Ag0  1  0.39  0.39  0.31  1.0

data_Mn2ZnAg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   7.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn2ZnAg
_chemical_formula_sum   'Mn4 Zn2 Ag2'
_cell_volume   107.97
_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  2  0.0  0.0  0.37  1.0
  Mn  Mn1  2  0.39  0.0  0.55  1.0
  Zn  Zn2  2  0.0  0.0  0.3  1.0
  Ag  Ag3  2  0.39  0.0  0.31  1.0

Mn Mn Zn Ag
Mn Mn Zn Ag 0 2 o o o 0 1 o o o 0 3 o o o 1 3 o o o 2 3 o o o 