data_CrSiTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83
_cell_length_b   6.83
_cell_length_c   27.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSiTe3
_chemical_formula_sum   'Cr2 Si2 Te6'
_cell_volume   1122.23
_cell_formula_units_Z   2
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  0.0  0.0  0.14  1.0
  Cr  Cr1  1  0.67  0.33  0.14  1.0
  Si  Si2  1  0.33  0.67  0.1  1.0
  Si  Si3  1  0.33  0.67  0.18  1.0
  Te  Te4  1  0.7  0.67  0.07  1.0
  Te  Te5  1  0.97  0.3  0.07  1.0
  Te  Te6  1  0.33  0.03  0.07  1.0
  Te  Te7  1  0.7  0.03  0.2  1.0
  Te  Te8  1  0.97  0.67  0.2  1.0
  Te  Te9  1  0.33  0.3  0.2  1.0

Cr Cr Si Si Te Te Te Te Te Te 0 4 - - o 0 5 - o o 0 7 - o o 0 8 - - o 0 6 o o o 0 9 o o o 1 6 o o o 1 9 o o o 1 4 o o o 1 5 o o o 1 7 o o o 1 8 o o o 2 5 - o o 2 6 o + o 2 4 o o o 2 3 o o o 3 8 - o o 3 9 o o o 3 7 o + o 
data_CrSiTe3
_symmetry_space_group_name_H-M   P-31m
_cell_length_a   6.83
_cell_length_b   6.83
_cell_length_c   27.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   162
_chemical_formula_structural   CrSiTe3
_chemical_formula_sum   'Cr2 Si2 Te6'
_cell_volume   1122.23
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-y, x-y, z'
  4  'y, -x+y, -z'
  5  '-x+y, -x, z'
  6  'x-y, x, -z'
  7  '-y, -x, -z'
  8  'y, x, z'
  9  '-x+y, y, -z'
  10  'x-y, -y, z'
  11  'x, x-y, -z'
  12  '-x, -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  2  0.33  0.67  0.0  1.0
  Si  Si1  2  0.0  0.0  0.04  1.0
  Te  Te2  6  0.0  0.36  0.94  1.0
