data_CdCo2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   4.21
_cell_angle_alpha   121.7
_cell_angle_beta   121.7
_cell_angle_gamma   87.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCo2Si
_chemical_formula_sum   'Cd1 Co2 Si1'
_cell_volume   51.4
_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
  Cd  Cd0  1  0.0  0.0  0.05  1.0
  Co  Co1  1  0.0  0.05  0.53  1.0
  Co  Co2  1  0.05  0.0  0.53  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_CdCo2Si
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   4.21
_cell_angle_alpha   90.0
_cell_angle_beta   133.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdCo2Si
_chemical_formula_sum   'Cd2 Co4 Si2'
_cell_volume   102.81
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Cd  Cd0  2  0.0  0.0  0.05  1.0
  Co  Co1  4  0.47  0.47  0.47  1.0
  Si  Si2  2  0.0  0.0  0.0  1.0

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