data_Cr2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.7
_cell_length_b   7.7
_cell_length_c   7.7
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Se
_chemical_formula_sum   'Cr16 Se8'
_cell_volume   323.27
_cell_formula_units_Z   8
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
  Cr  Cr0  1  0.36  0.09  0.09  1.0
  Cr  Cr1  1  0.09  0.36  0.09  1.0
  Cr  Cr2  1  0.36  0.36  0.36  1.0
  Cr  Cr3  1  0.09  0.09  0.36  1.0
  Cr  Cr4  1  0.17  0.17  0.36  1.0
  Cr  Cr5  1  0.99  0.17  0.17  1.0
  Cr  Cr6  1  0.17  0.99  0.17  1.0
  Cr  Cr7  1  0.17  0.36  0.17  1.0
  Cr  Cr8  1  0.36  0.17  0.17  1.0
  Cr  Cr9  1  0.17  0.17  0.99  1.0
  Cr  Cr10  1  0.45  0.45  0.26  1.0
  Cr  Cr11  1  0.63  0.45  0.45  1.0
  Cr  Cr12  1  0.45  0.63  0.45  1.0
  Cr  Cr13  1  0.45  0.26  0.45  1.0
  Cr  Cr14  1  0.26  0.45  0.45  1.0
  Cr  Cr15  1  0.45  0.45  0.63  1.0
  Se  Se16  1  0.11  0.11  0.78  1.0
  Se  Se17  1  0.78  0.78  0.78  1.0
  Se  Se18  1  0.11  0.78  0.11  1.0
  Se  Se19  1  0.78  0.11  0.11  1.0
  Se  Se20  1  0.51  0.51  0.84  1.0
  Se  Se21  1  0.84  0.84  0.84  1.0
  Se  Se22  1  0.51  0.84  0.51  1.0
  Se  Se23  1  0.84  0.51  0.51  1.0

data_Cr2Se
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.7
_cell_length_b   7.7
_cell_length_c   18.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Cr2Se
_chemical_formula_sum   'Cr48 Se24'
_cell_volume   969.81
_cell_formula_units_Z   24
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
  Cr  Cr0  9  0.06  0.12  0.49  1.0
  Cr  Cr1  9  0.06  0.12  0.77  1.0
  Cr  Cr2  9  0.09  0.18  0.82  1.0
  Cr  Cr3  9  0.12  0.06  0.61  1.0
  Cr  Cr4  9  0.12  0.06  0.89  1.0
  Cr  Cr5  3  0.0  0.0  0.64  1.0
  Se  Se6  9  0.11  0.22  0.38  1.0
  Se  Se7  9  0.22  0.11  1.0  1.0
  Se  Se8  3  0.0  0.0  0.16  1.0
  Se  Se9  3  0.0  0.0  0.22  1.0

Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Se Se Se Se Se Se Se Se