data_Sr17Cr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.94
_cell_length_b   10.94
_cell_length_c   10.94
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr17Cr12
_chemical_formula_sum   'Sr17 Cr12'
_cell_volume   1008.75
_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  Sr12  1  0.81  0.92  0.81  1.0
  Sr  Sr13  1  0.51  0.6  0.51  1.0
  Sr  Sr14  1  0.81  0.72  0.19  1.0
  Sr  Sr15  1  0.19  0.72  0.81  1.0
  Sr  Sr16  1  0.81  0.19  0.72  1.0
  Sr  Sr17  1  0.19  0.81  0.72  1.0
  Sr  Sr18  1  0.51  0.51  0.6  1.0
  Sr  Sr19  1  0.81  0.81  0.92  1.0
  Sr  Sr20  1  0.72  0.19  0.81  1.0
  Sr  Sr21  1  0.72  0.81  0.19  1.0
  Sr  Sr22  1  0.92  0.81  0.81  1.0
  Sr  Sr23  1  0.6  0.51  0.51  1.0
  Sr  Sr24  1  0.1  0.9  0.1  1.0
  Sr  Sr25  1  0.22  0.22  0.22  1.0
  Sr  Sr26  1  0.1  0.1  0.9  1.0
  Sr  Sr27  1  0.9  0.1  0.1  1.0
  Sr  Sr28  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.17  0.09  0.17  1.0
  Cr  Cr1  1  0.14  0.41  0.14  1.0
  Cr  Cr2  1  0.86  0.23  0.14  1.0
  Cr  Cr3  1  0.14  0.23  0.86  1.0
  Cr  Cr4  1  0.86  0.14  0.23  1.0
  Cr  Cr5  1  0.14  0.86  0.23  1.0
  Cr  Cr6  1  0.14  0.14  0.41  1.0
  Cr  Cr7  1  0.17  0.17  0.09  1.0
  Cr  Cr8  1  0.23  0.14  0.86  1.0
  Cr  Cr9  1  0.23  0.86  0.14  1.0
  Cr  Cr10  1  0.09  0.17  0.17  1.0
  Cr  Cr11  1  0.41  0.14  0.14  1.0

data_Sr17Cr12
_symmetry_space_group_name_H-M   R3m
_cell_length_a   17.87
_cell_length_b   17.87
_cell_length_c   10.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sr17Cr12
_chemical_formula_sum   'Sr51 Cr36'
_cell_volume   3026.24
_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+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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  18  0.15  0.38  0.57  1.0
  Sr  Sr1  9  0.06  0.03  0.54  1.0
  Sr  Sr2  9  0.07  0.14  0.03  1.0
  Sr  Sr3  9  0.07  0.04  0.84  1.0
  Sr  Sr4  3  0.0  0.0  0.0  1.0
  Sr  Sr5  3  0.0  0.0  0.22  1.0
  Cr  Cr6  18  0.07  0.22  0.08  1.0
  Cr  Cr7  9  0.03  0.06  0.15  1.0
  Cr  Cr8  9  0.18  0.09  0.23  1.0

Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr