data_CrSiTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSiTe
_chemical_formula_sum   'Cr1 Si1 Te1'
_cell_volume   53.31
_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  1.0  0.9  0.1  1.0
  Si  Si1  1  0.0  0.0  0.6  1.0
  Te  Te2  1  0.64  0.95  1.0  1.0

data_CrSiTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSiTe
_chemical_formula_sum   'Cr1 Si1 Te1'
_cell_volume   53.31
_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  1.0  0.9  0.1  1.0
  Si  Si1  1  0.0  0.0  0.6  1.0
  Te  Te2  1  0.64  0.95  1.0  1.0

Cr Si Te
Cr Si Te 0 2 o o - 0 1 + + o 0 1 + + - 1 2 - - o 1 2 o - o 1 1 + + o 1 1 o + o 1 1 + o o 