data_CoSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   3.93
_cell_angle_alpha   103.49
_cell_angle_beta   103.49
_cell_angle_gamma   37.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSi
_chemical_formula_sum   'Co2 Si2'
_cell_volume   43.72
_cell_formula_units_Z   2
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  0.59  0.0  0.65  1.0
  Co  Co1  1  0.65  0.0  0.15  1.0
  Si  Si2  1  0.31  0.0  0.1  1.0
  Si  Si3  1  0.93  0.0  0.71  1.0

data_CoSi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.8
_cell_length_b   3.93
_cell_length_c   4.33
_cell_angle_alpha   103.49
_cell_angle_beta   108.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CoSi
_chemical_formula_sum   'Co2 Si2'
_cell_volume   43.72
_cell_formula_units_Z   2
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
  Co  Co0  2  0.0  0.25  0.47  1.0
  Si  Si1  2  0.0  0.31  0.81  1.0

Co Co Si Si
Co Co Si Si 0 3 o o o 1 2 o o o 