data_Mn2ZnAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   7.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2ZnAg
_chemical_formula_sum   'Mn2 Zn1 Ag1'
_cell_volume   60.23
_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  0.92  0.0  0.97  1.0
  Mn  Mn2  1  0.92  0.0  0.82  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.89  1.0

data_Mn2ZnAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   7.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2ZnAg
_chemical_formula_sum   'Mn2 Zn1 Ag1'
_cell_volume   60.23
_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  0.92  0.0  0.82  1.0
  Mn  Mn1  1  0.92  0.0  0.97  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.0  0.0  0.89  1.0

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