data_Sr4TeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73
_cell_length_b   6.73
_cell_length_c   6.73
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr4TeP
_chemical_formula_sum   'Sr4 Te1 P1'
_cell_volume   215.29
_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  Sr1  1  0.95  0.95  0.56  1.0
  Sr  Sr2  1  0.95  0.56  0.95  1.0
  Sr  Sr3  1  0.56  0.95  0.95  1.0
  Sr  Sr4  1  0.56  0.56  0.56  1.0
  Te  Te5  1  0.14  0.14  0.14  1.0
  P  P0  1  0.0  0.0  0.0  1.0

data_Sr4TeP
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.73
_cell_length_b   6.73
_cell_length_c   16.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sr4TeP
_chemical_formula_sum   'Sr12 Te3 P3'
_cell_volume   645.88
_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  9  0.2  0.41  0.85  1.0
  Sr  Sr1  3  0.0  0.0  0.44  1.0
  Te  Te2  3  0.0  0.0  0.86  1.0
  P  P3  3  0.0  0.0  0.0  1.0

Sr Sr Sr Sr Te P
Sr Sr Sr Sr Te P 0 1 o o o 0 2 o o o 0 4 + + o 0 3 + o o 0 3 o + o 1 2 o o o 1 4 + o + 1 3 + o o 1 3 o o + 2 4 o + + 2 3 o + o 2 3 o o + 3 4 o o + 3 4 o + o 3 4 + o o 3 5 o + + 3 5 + o + 3 5 + + o 4 5 o o o 
Sr4PTe crystallizes in the trigonal R3m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted single-bond geometry to two equivalent Sr(2), two equivalent P(1), and one Te(1) atom. Both Sr(1)-Sr(2) bond lengths are 3.61 Å. There is one shorter (3.30 Å) and one longer (3.49 Å) Sr(1)-P(1) bond length. The Sr(1)-Te(1) bond length is 2.40 Å. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to six equivalent Sr(1) atoms. P(1) is bonded in a 7-coordinate geometry to six equivalent Sr(1) and one Te(1) atom. The P(1)-Te(1) bond length is 2.23 Å. Te(1) is bonded in a trigonal pyramidal geometry to three equivalent Sr(1) and one P(1) atom.