data_Mn2FeAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   4.61
_cell_angle_alpha   100.46
_cell_angle_beta   100.46
_cell_angle_gamma   34.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2FeAg
_chemical_formula_sum   'Mn2 Fe1 Ag1'
_cell_volume   50.89
_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  0.12  0.0  0.88  1.0
  Mn  Mn3  1  0.53  0.0  0.65  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.82  0.0  0.26  1.0

data_Mn2FeAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   4.46
_cell_length_c   4.61
_cell_angle_alpha   100.46
_cell_angle_beta   90.0
_cell_angle_gamma   107.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2FeAg
_chemical_formula_sum   'Mn2 Fe1 Ag1'
_cell_volume   50.89
_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  0.0  0.47  0.35  1.0
  Mn  Mn1  1  0.0  0.88  0.12  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.0  0.18  0.74  1.0

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