data_CrTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.05
_cell_length_b   7.05
_cell_length_c   7.09
_cell_angle_alpha   115.9
_cell_angle_beta   115.9
_cell_angle_gamma   29.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTe
_chemical_formula_sum   'Cr3 Te3'
_cell_volume   156.78
_cell_formula_units_Z   3
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  0.47  0.0  0.15  1.0
  Cr  Cr1  1  0.95  0.0  0.43  1.0
  Cr  Cr2  1  0.26  0.0  0.05  1.0
  Te  Te3  1  0.26  0.0  0.51  1.0
  Te  Te4  1  0.13  0.0  0.12  1.0
  Te  Te5  1  0.37  0.0  0.78  1.0

data_CrTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   7.05
_cell_length_c   7.09
_cell_angle_alpha   115.9
_cell_angle_beta   90.0
_cell_angle_gamma   104.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTe
_chemical_formula_sum   'Cr3 Te3'
_cell_volume   156.78
_cell_formula_units_Z   3
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  0.05  0.57  1.0
  Cr  Cr1  1  0.0  0.53  0.85  1.0
  Cr  Cr2  1  0.0  0.74  0.95  1.0
  Te  Te3  1  0.0  0.63  0.22  1.0
  Te  Te4  1  0.0  0.74  0.49  1.0
  Te  Te5  1  0.0  0.87  0.88  1.0

Cr Cr Cr Te Te Te
Cr Cr Cr Te Te Te 0 2 o o o 1 3 + o o 2 4 o o o 3 5 o o o 