data_MnAgP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAgP4
_chemical_formula_sum   'Mn1 Ag1 P4'
_cell_volume   88.07
_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  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.3  0.3  0.3  1.0
  P  P2  1  0.42  0.42  0.64  1.0
  P  P3  1  0.42  0.64  0.42  1.0
  P  P4  1  0.64  0.42  0.42  1.0
  P  P5  1  0.64  0.64  0.64  1.0

data_MnAgP4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   12.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MnAgP4
_chemical_formula_sum   'Mn3 Ag3 P12'
_cell_volume   264.2
_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
  Mn  Mn0  3  0.0  0.0  0.0  1.0
  Ag  Ag1  3  0.0  0.0  0.7  1.0
  P  P2  9  0.07  0.15  0.51  1.0
  P  P3  3  0.0  0.0  0.36  1.0

Mn Ag P P P P
Mn Ag P P P P 0 4 - - o 0 4 - o - 0 4 - o o 0 3 - - o 0 3 o - - 0 3 o - o 0 5 - - o 0 5 - o - 0 5 o - - 0 2 - o - 0 2 o - - 0 2 o o - 0 1 - o o 0 1 o - o 0 1 o o - 1 3 o - o 1 3 o o o 1 4 - o o 1 4 o o o 1 5 - o o 1 5 o - o 1 5 o o - 1 2 o o - 1 2 o o o 2 4 o o o 2 3 o o o 2 5 o o o 3 4 o o o 3 5 o o o 4 5 o o o 
MnAgP4 crystallizes in the trigonal R3m space group. Mn(1) is bonded in a distorted q6 geometry to three equivalent Ag(1), three equivalent P(1), and three equivalent P(2) atoms. All Mn(1)-Ag(1) bond lengths are 2.92 Å. All Mn(1)-P(1) bond lengths are 2.97 Å. All Mn(1)-P(2) bond lengths are 2.90 Å. Ag(1) is bonded to three equivalent Mn(1), three equivalent P(2), and six equivalent P(1) atoms to form a mixture of distorted edge and corner-sharing AgMn3P9 cuboctahedra. All Ag(1)-P(2) bond lengths are 2.89 Å. There are three shorter (2.49 Å) and three longer (2.79 Å) Ag(1)-P(1) bond lengths. There are two inequivalent P sites. In the first P site, P(2) is bonded in a 9-coordinate geometry to three equivalent Mn(1), three equivalent Ag(1), and three equivalent P(1) atoms. All P(2)-P(1) bond lengths are 1.95 Å. In the second P site, P(1) is bonded in a 2-coordinate geometry to one Mn(1), two equivalent Ag(1), one P(2), and two equivalent P(1) atoms. Both P(1)-P(1) bond lengths are 1.12 Å.