data_Cr2TeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   7.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2TeCl
_chemical_formula_sum   'Cr2 Te1 Cl1'
_cell_volume   96.25
_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  Cr1  1  0.97  0.0  0.81  1.0
  Cr  Cr2  1  0.97  0.0  0.6  1.0
  Te  Te3  1  0.0  0.0  0.71  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Cr2TeCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   7.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2TeCl
_chemical_formula_sum   'Cr2 Te1 Cl1'
_cell_volume   96.25
_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  0.97  0.0  0.6  1.0
  Cr  Cr1  1  0.97  0.0  0.81  1.0
  Te  Te2  1  0.0  0.0  0.71  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Cr Cr Te Cl
Cr Cr Te Cl 0 2 + o o 0 3 + o + 1 2 + o o 