data_Co2SiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   2.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2SiSe
_chemical_formula_sum   'Co2 Si1 Se1'
_cell_volume   50.11
_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  0.42  0.54  0.43  1.0
  Co  Co1  1  0.42  0.46  0.43  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.84  0.0  0.0  1.0

data_Co2SiSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.19
_cell_length_c   4.19
_cell_angle_alpha   94.57
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2SiSe
_chemical_formula_sum   'Co2 Si1 Se1'
_cell_volume   50.11
_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  0.43  0.42  0.46  1.0
  Co  Co1  1  0.43  0.42  0.54  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  -0.0  0.84  0.0  1.0

Co Co Si Se
Co Co Si Se 0 1 o o o 2 3 - o o 