data_CdSiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   5.07
_cell_length_c   4.74
_cell_angle_alpha   90.0
_cell_angle_beta   93.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSiP2
_chemical_formula_sum   'Cd1 Si1 P2'
_cell_volume   78.18
_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  0.5  0.0  0.36  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  P  P1  1  0.44  0.53  0.74  1.0
  P  P2  1  0.57  0.53  0.99  1.0

data_CdSiP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.74
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSiP2
_chemical_formula_sum   'Cd1 Si1 P2'
_cell_volume   78.18
_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  0.5  0.64  0.0  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.43  0.01  0.47  1.0
  P  P3  1  0.56  0.26  0.47  1.0

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