data_KMnAgSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnAgSn
_chemical_formula_sum   'K1 Mn1 Ag1 Sn1'
_cell_volume   95.7
_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
  K  K1  1  0.0  0.0  0.0  1.0
  Mn  Mn2  1  0.45  0.45  0.45  1.0
  Ag  Ag0  1  0.82  0.82  0.82  1.0
  Sn  Sn3  1  0.63  0.63  0.63  1.0

data_KMnAgSn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   12.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KMnAgSn
_chemical_formula_sum   'K3 Mn3 Ag3 Sn3'
_cell_volume   287.09
_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
  K  K0  3  0.0  0.0  0.0  1.0
  Mn  Mn1  3  0.0  0.0  0.55  1.0
  Ag  Ag2  3  0.0  0.0  0.18  1.0
  Sn  Sn3  3  0.0  0.0  0.37  1.0

K Mn Ag Sn
K Mn Ag Sn 0 2 - - - 1 3 o o o 2 3 o o o 
KMnAgSn crystallizes in the trigonal R3m space group. K(1) is bonded in a 1-coordinate geometry to one Ag(1) and three equivalent Sn(1) atoms. The K(1)-Ag(1) bond length is 2.32 Å. All K(1)-Sn(1) bond lengths are 3.00 Å. Mn(1) is bonded in a 1-coordinate geometry to one Sn(1) atom. The Mn(1)-Sn(1) bond length is 2.32 Å. Ag(1) is bonded in a 1-coordinate geometry to one K(1) and one Sn(1) atom. The Ag(1)-Sn(1) bond length is 2.32 Å. Sn(1) is bonded to three equivalent K(1), one Mn(1), and one Ag(1) atom to form distorted corner-sharing SnK3MnAg trigonal bipyramids.