data_CrInTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   7.34
_cell_angle_alpha   104.48
_cell_angle_beta   104.48
_cell_angle_gamma   57.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrInTe2
_chemical_formula_sum   'Cr1 In1 Te2'
_cell_volume   105.83
_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  0.0  1.0
  In  In1  1  0.68  0.0  0.52  1.0
  Te  Te2  1  0.02  0.0  0.41  1.0
  Te  Te3  1  0.33  0.0  0.62  1.0

data_CrInTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   4.23
_cell_length_c   7.34
_cell_angle_alpha   104.48
_cell_angle_beta   90.0
_cell_angle_gamma   118.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrInTe2
_chemical_formula_sum   'Cr1 In1 Te2'
_cell_volume   105.83
_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  0.0  1.0
  In  In1  1  0.0  0.32  0.48  1.0
  Te  Te2  1  0.0  0.67  0.38  1.0
  Te  Te3  1  0.0  0.98  0.59  1.0

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