data_SrMgMnAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMgMnAg
_chemical_formula_sum   'Sr1 Mg1 Mn1 Ag1'
_cell_volume   97.08
_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
  Sr  Sr3  1  0.82  0.82  0.82  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Mn  Mn2  1  0.47  0.47  0.47  1.0
  Ag  Ag0  1  0.65  0.65  0.65  1.0

data_SrMgMnAg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   12.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrMgMnAg
_chemical_formula_sum   'Sr3 Mg3 Mn3 Ag3'
_cell_volume   291.25
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Sr  Sr0  3  0.0  0.0  0.18  1.0
  Mg  Mg1  3  0.0  0.0  0.0  1.0
  Mn  Mn2  3  0.0  0.0  0.53  1.0
  Ag  Ag3  3  0.0  0.0  0.35  1.0

Sr Mg Mn Ag
Sr Mg Mn Ag 0 3 o o o 0 1 + + + 2 3 o o o 
SrMgMnAg crystallizes in the trigonal R3m space group. Sr(1) is bonded in a 5-coordinate geometry to one Mg(1), three equivalent Mn(1), and one Ag(1) atom. The Sr(1)-Mg(1) bond length is 2.22 Å. All Sr(1)-Mn(1) bond lengths are 2.99 Å. The Sr(1)-Ag(1) bond length is 2.22 Å. Mg(1) is bonded in a 4-coordinate geometry to one Sr(1) and three equivalent Ag(1) atoms. All Mg(1)-Ag(1) bond lengths are 2.99 Å. Mn(1) is bonded in a 4-coordinate geometry to three equivalent Sr(1) and one Ag(1) atom. The Mn(1)-Ag(1) bond length is 2.22 Å. Ag(1) is bonded in a 5-coordinate geometry to one Sr(1), three equivalent Mg(1), and one Mn(1) atom.