data_Co2SiTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   6.24
_cell_angle_alpha   152.54
_cell_angle_beta   147.69
_cell_angle_gamma   42.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2SiTe
_chemical_formula_sum   'Co2 Si1 Te1'
_cell_volume   59.81
_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
  Co  Co0  1  0.0  0.0  0.48  1.0
  Co  Co1  1  0.48  0.0  0.03  1.0
  Si  Si2  1  0.0  0.0  0.32  1.0
  Te  Te3  1  0.0  0.74  0.42  1.0

data_Co2SiTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   3.47
_cell_length_c   6.24
_cell_angle_alpha   106.16
_cell_angle_beta   103.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2SiTe
_chemical_formula_sum   'Co2 Si1 Te1'
_cell_volume   59.81
_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
  Co  Co0  1  0.0  0.03  0.54  1.0
  Co  Co1  1  0.0  0.48  0.48  1.0
  Si  Si2  1  0.0  0.32  0.32  1.0
  Te  Te3  1  0.26  0.68  0.68  1.0

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