data_Mn2NiAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   2.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2NiAg
_chemical_formula_sum   'Mn2 Ni1 Ag1'
_cell_volume   58.54
_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  0.44  0.75  0.45  1.0
  Mn  Mn2  1  0.44  0.25  0.45  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.88  0.0  0.0  1.0

data_Mn2NiAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   101.09
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2NiAg
_chemical_formula_sum   'Mn2 Ni1 Ag1'
_cell_volume   58.54
_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  0.45  0.44  0.25  1.0
  Mn  Mn1  1  0.45  0.44  0.75  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.0  0.88  0.0  1.0

Mn Mn Ni Ag
Mn Mn Ni Ag 0 2 o + o 0 1 o + o 0 1 o o o 0 3 o + o 0 3 o + + 1 2 o o o 1 2 o o + 1 3 o o o 2 3 - o o 
Mn2NiAg crystallizes in the triclinic P1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 8-coordinate geometry to two equivalent Mn(1), two equivalent Mn(2), two equivalent Ni(1), and two equivalent Ag(1) atoms. Both Mn(1)-Mn(1) bond lengths are 2.91 Å. There is one shorter (2.25 Å) and one longer (2.28 Å) Mn(1)-Mn(2) bond length. There is one shorter (2.81 Å) and one longer (2.94 Å) Mn(1)-Ni(1) bond length. There is one shorter (2.48 Å) and one longer (2.63 Å) Mn(1)-Ag(1) bond length. In the second Mn site, Mn(2) is bonded in a 8-coordinate geometry to two equivalent Mn(1), two equivalent Mn(2), two equivalent Ni(1), and two equivalent Ag(1) atoms. Both Mn(2)-Mn(2) bond lengths are 2.91 Å. There is one shorter (2.48 Å) and one longer (2.63 Å) Mn(2)-Ni(1) bond length. There is one shorter (2.81 Å) and one longer (2.94 Å) Mn(2)-Ag(1) bond length. Ni(1) is bonded in a distorted single-bond geometry to two equivalent Mn(1), two equivalent Mn(2), and one Ag(1) atom. The Ni(1)-Ag(1) bond length is 0.55 Å. Ag(1) is bonded in a distorted single-bond geometry to two equivalent Mn(1), two equivalent Mn(2), and one Ni(1) atom.