data_CoSi2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   5.76
_cell_angle_alpha   97.82
_cell_angle_beta   97.82
_cell_angle_gamma   54.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSi2Te
_chemical_formula_sum   'Co1 Si2 Te1'
_cell_volume   71.57
_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  0.0  1.0
  Si  Si1  1  0.72  0.0  0.68  1.0
  Si  Si2  1  0.35  0.0  0.02  1.0
  Te  Te3  1  0.03  0.0  0.85  1.0

data_CoSi2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   3.92
_cell_length_c   5.76
_cell_angle_alpha   97.82
_cell_angle_beta   90.0
_cell_angle_gamma   117.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSi2Te
_chemical_formula_sum   'Co1 Si2 Te1'
_cell_volume   71.57
_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  0.0  1.0
  Si  Si1  1  0.0  0.28  0.32  1.0
  Si  Si2  1  0.0  0.65  0.98  1.0
  Te  Te3  1  0.0  0.97  0.15  1.0

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