data_CdSiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   146.95
_cell_angle_beta   146.95
_cell_angle_gamma   47.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSiP
_chemical_formula_sum   'Cd1 Si1 P1'
_cell_volume   56.17
_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  0.51  1.0
  Si  Si2  1  0.0  0.0  0.99  1.0
  P  P1  1  0.0  0.0  0.55  1.0

data_CdSiP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   113.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdSiP
_chemical_formula_sum   'Cd2 Si2 P2'
_cell_volume   112.34
_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  0.01  0.5  0.51  1.0
  Si  Si1  2  0.49  0.5  0.99  1.0
  P  P2  2  0.05  0.5  0.55  1.0

Cd Si P