data_Cd2CoSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   37.22
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2CoSi
_chemical_formula_sum   'Cd2 Co1 Si1'
_cell_volume   68.47
_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  0.96  0.0  0.35  1.0
  Cd  Cd1  1  0.0  0.0  0.95  1.0
  Co  Co2  1  0.96  0.0  1.0  1.0
  Si  Si3  1  0.0  0.0  0.07  1.0

data_Cd2CoSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   3.92
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   108.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2CoSi
_chemical_formula_sum   'Cd2 Co1 Si1'
_cell_volume   68.47
_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  0.05  0.0  0.05  1.0
  Cd  Cd1  1  0.65  0.96  0.65  1.0
  Co  Co2  1  0.0  0.96  0.0  1.0
  Si  Si3  1  0.93  0.0  0.93  1.0

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