data_CdIn2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   7.29
_cell_angle_alpha   104.11
_cell_angle_beta   104.11
_cell_angle_gamma   58.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdIn2P
_chemical_formula_sum   'Cd1 In2 P1'
_cell_volume   96.75
_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  0.5  1.0
  In  In1  1  0.74  0.0  0.49  1.0
  In  In2  1  0.26  0.0  0.51  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_CdIn2P
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.93
_cell_length_b   4.03
_cell_length_c   7.29
_cell_angle_alpha   104.11
_cell_angle_beta   90.0
_cell_angle_gamma   119.18
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CdIn2P
_chemical_formula_sum   'Cd1 In2 P1'
_cell_volume   96.75
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.5  0.5  1.0
  In  In1  2  0.0  0.26  0.51  1.0
  P  P2  1  0.0  0.0  0.0  1.0

Cd In In P