data_Cr2Te3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.93
_cell_length_b   9.93
_cell_length_c   9.93
_cell_angle_alpha   22.55
_cell_angle_beta   22.55
_cell_angle_gamma   22.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Te3
_chemical_formula_sum   'Cr2 Te3'
_cell_volume   126.46
_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
  Cr  Cr0  1  0.0  0.0  0.57  1.0
  Cr  Cr1  1  0.0  0.0  0.47  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.41  1.0
  Te  Te4  1  0.0  0.0  0.62  1.0

data_Cr2Te3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.73
_cell_length_b   3.88
_cell_length_c   9.93
_cell_angle_alpha   90.0
_cell_angle_beta   103.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2Te3
_chemical_formula_sum   'Cr4 Te6'
_cell_volume   252.91
_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  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  -0.0  0.0  0.43  1.0
  Cr  Cr1  2  -0.0  0.0  0.53  1.0
  Te  Te2  2  -0.0  0.0  0.38  1.0
  Te  Te3  2  -0.0  0.0  0.59  1.0
  Te  Te4  2  0.0  0.0  0.0  1.0

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