data_Mn2AlAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   4.49
_cell_angle_alpha   124.24
_cell_angle_beta   124.24
_cell_angle_gamma   82.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2AlAg
_chemical_formula_sum   'Mn2 Al1 Ag1'
_cell_volume   59.33
_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  Mn2  1  0.1  0.0  0.68  1.0
  Mn  Mn3  1  0.0  0.0  0.37  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.1  0.68  1.0

data_Mn2AlAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   4.49
_cell_angle_alpha   117.88
_cell_angle_beta   117.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2AlAg
_chemical_formula_sum   'Mn2 Al1 Ag1'
_cell_volume   59.33
_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  0.37  0.37  0.37  1.0
  Mn  Mn1  1  0.68  0.58  0.58  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.58  0.68  0.58  1.0

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