data_CrSiTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94
_cell_length_b   5.01
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   102.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSiTe2
_chemical_formula_sum   'Cr1 Si1 Te2'
_cell_volume   92.79
_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  0.63  0.51  0.32  1.0
  Si  Si1  1  0.54  0.0  0.24  1.0
  Te  Te2  1  0.63  0.51  0.34  1.0
  Te  Te3  1  0.55  0.0  0.14  1.0

data_CrSiTe2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.94
_cell_length_b   5.01
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   102.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CrSiTe2
_chemical_formula_sum   'Cr1 Si1 Te2'
_cell_volume   92.79
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.63  0.5  0.32  1.0
  Si  Si1  1  0.54  0.0  0.24  1.0
  Te  Te2  1  0.55  0.0  0.14  1.0
  Te  Te3  1  0.63  0.5  0.34  1.0

Cr Si Te Te