data_CrTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   4.11
_cell_length_c   7.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTe
_chemical_formula_sum   'Cr4 Te4'
_cell_volume   188.75
_cell_formula_units_Z   4
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  0.11  0.08  0.81  1.0
  Cr  Cr1  1  0.28  0.08  0.82  1.0
  Cr  Cr2  1  0.22  0.03  0.44  1.0
  Cr  Cr3  1  0.06  0.03  0.44  1.0
  Te  Te4  1  0.61  0.08  0.65  1.0
  Te  Te5  1  0.78  0.08  0.23  1.0
  Te  Te6  1  0.73  0.03  0.6  1.0
  Te  Te7  1  0.56  0.03  0.02  1.0

data_CrTe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.11
_cell_length_b   6.33
_cell_length_c   7.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CrTe
_chemical_formula_sum   'Cr4 Te4'
_cell_volume   188.75
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.47  0.39  0.81  1.0
  Cr  Cr1  2  0.47  0.56  0.82  1.0
  Te  Te2  2  0.47  0.06  0.98  1.0
  Te  Te3  2  0.47  0.89  0.4  1.0

Cr Cr Cr Cr Te Te Te Te
Cr Cr Cr Cr Te Te Te Te 0 1 o o o 1 7 o o + 2 3 o o o 3 5 - o o 4 6 o o o 5 7 o o o 