data_Cd2SiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   3.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2SiP
_chemical_formula_sum   'Cd2 Si1 P1'
_cell_volume   79.15
_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  0.37  0.93  0.87  1.0
  Cd  Cd1  1  0.37  0.07  0.87  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  P  P2  1  0.74  0.0  0.0  1.0

data_Cd2SiP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   109.19
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2SiP
_chemical_formula_sum   'Cd2 Si1 P1'
_cell_volume   79.15
_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  0.87  0.37  0.07  1.0
  Cd  Cd1  1  0.87  0.37  0.93  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.0  0.74  0.0  1.0

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