data_Cr2SiTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   133.74
_cell_angle_beta   119.11
_cell_angle_gamma   79.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2SiTe
_chemical_formula_sum   'Cr2 Si1 Te1'
_cell_volume   62.7
_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  0.84  0.0  0.56  1.0
  Cr  Cr1  1  0.0  0.37  0.04  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.59  1.0

data_Cr2SiTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   60.89
_cell_angle_beta   66.87
_cell_angle_gamma   66.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2SiTe
_chemical_formula_sum   'Cr2 Si1 Te1'
_cell_volume   62.7
_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  0.04  0.0  0.34  1.0
  Cr  Cr1  1  0.72  0.84  0.44  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.59  -0.0  0.41  1.0

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