data_Cd2SiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   131.8
_cell_angle_beta   131.8
_cell_angle_gamma   70.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2SiP
_chemical_formula_sum   'Cd2 Si1 P1'
_cell_volume   78.37
_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  0.14  0.0  0.14  1.0
  Cd  Cd1  1  0.0  0.0  0.28  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  P  P2  1  0.0  0.14  0.14  1.0

data_Cd2SiP
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   5.24
_cell_angle_alpha   114.1
_cell_angle_beta   114.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2SiP
_chemical_formula_sum   'Cd2 Si1 P1'
_cell_volume   78.37
_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  0.72  0.0  0.72  1.0
  Cd  Cd1  1  0.86  0.0  0.0  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.0  0.14  0.0  1.0

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