data_CrSi2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   4.38
_cell_length_c   4.56
_cell_angle_alpha   90.0
_cell_angle_beta   100.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSi2Te
_chemical_formula_sum   'Cr1 Si2 Te1'
_cell_volume   68.89
_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
  Si  Si1  1  0.96  0.19  0.03  1.0
  Si  Si2  1  0.7  0.19  0.45  1.0
  Te  Te3  1  0.33  0.0  0.24  1.0

data_CrSi2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.38
_cell_length_c   4.56
_cell_angle_alpha   90.0
_cell_angle_beta   100.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSi2Te
_chemical_formula_sum   'Cr1 Si2 Te1'
_cell_volume   68.89
_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
  Si  Si1  1  0.7  0.19  0.45  1.0
  Si  Si2  1  0.96  0.19  0.03  1.0
  Te  Te3  1  0.33  0.0  0.24  1.0

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