data_SrMnMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMnMo
_chemical_formula_sum   'Sr1 Mn1 Mo1'
_cell_volume   74.05
_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  Sr2  1  0.33  0.33  0.33  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.67  0.67  0.67  1.0

data_SrMnMo
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   11.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrMnMo
_chemical_formula_sum   'Sr3 Mn3 Mo3'
_cell_volume   222.16
_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  0.67  1.0
  Mn  Mn1  3  0.0  0.0  0.0  1.0
  Mo  Mo2  3  0.0  0.0  0.33  1.0

Sr Mn Mo
SrMoMn crystallizes in the trigonal R3m space group. Sr(1) is bonded to four equivalent Mo(1) and four equivalent Mn(1) atoms to form distorted SrMn4Mo4 hexagonal bipyramids that share corners with six equivalent Mo(1)Sr4Mn3 hexagonal pyramids, corners with six equivalent Mn(1)Sr4Mo3 hexagonal pyramids, edges with twelve equivalent Sr(1)Mn4Mo4 hexagonal bipyramids, edges with three equivalent Mo(1)Sr4Mn3 hexagonal pyramids, and edges with three equivalent Mn(1)Sr4Mo3 hexagonal pyramids. There are three shorter (2.72 Å) and one longer (3.85 Å) Sr(1)-Mo(1) bond length. There are three shorter (2.72 Å) and one longer (3.84 Å) Sr(1)-Mn(1) bond length. Mo(1) is bonded to four equivalent Sr(1) and three equivalent Mn(1) atoms to form distorted MoSr4Mn3 hexagonal pyramids that share corners with six equivalent Sr(1)Mn4Mo4 hexagonal bipyramids, corners with four equivalent Mn(1)Sr4Mo3 hexagonal pyramids, corners with six equivalent Mo(1)Sr4Mn3 hexagonal pyramids, edges with three equivalent Sr(1)Mn4Mo4 hexagonal bipyramids, edges with six equivalent Mo(1)Sr4Mn3 hexagonal pyramids, and edges with six equivalent Mn(1)Sr4Mo3 hexagonal pyramids. All Mo(1)-Mn(1) bond lengths are 2.72 Å. Mn(1) is bonded to four equivalent Sr(1) and three equivalent Mo(1) atoms to form distorted MnSr4Mo3 hexagonal pyramids that share corners with six equivalent Sr(1)Mn4Mo4 hexagonal bipyramids, corners with four equivalent Mo(1)Sr4Mn3 hexagonal pyramids, corners with six equivalent Mn(1)Sr4Mo3 hexagonal pyramids, edges with three equivalent Sr(1)Mn4Mo4 hexagonal bipyramids, edges with six equivalent Mo(1)Sr4Mn3 hexagonal pyramids, and edges with six equivalent Mn(1)Sr4Mo3 hexagonal pyramids.