data_CrTe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   11.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTe2Cl
_chemical_formula_sum   'Cr1 Te2 Cl1'
_cell_volume   109.62
_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  0.91  0.0  0.91  1.0
  Te  Te2  1  0.0  0.0  0.93  1.0
  Te  Te3  1  0.91  0.0  0.29  1.0
  Cl  Cl0  1  0.0  0.0  0.42  1.0

data_CrTe2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   11.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTe2Cl
_chemical_formula_sum   'Cr1 Te2 Cl1'
_cell_volume   109.62
_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  0.91  0.0  0.91  1.0
  Te  Te1  1  0.0  0.0  0.93  1.0
  Te  Te2  1  0.91  0.0  0.29  1.0
  Cl  Cl3  1  0.0  0.0  0.42  1.0

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