data_BaCdP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   5.44
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   95.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCdP2
_chemical_formula_sum   'Ba1 Cd1 P2'
_cell_volume   96.11
_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
  Ba  Ba0  1  0.49  0.72  0.81  1.0
  Cd  Cd1  1  0.56  0.0  0.07  1.0
  P  P2  1  0.0  0.72  0.11  1.0
  P  P3  1  0.27  0.0  0.92  1.0

data_BaCdP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   5.29
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCdP2
_chemical_formula_sum   'Ba1 Cd1 P2'
_cell_volume   96.11
_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
  Ba  Ba0  1  0.51  0.19  0.28  1.0
  Cd  Cd1  1  0.44  0.93  0.0  1.0
  P  P2  1  0.73  0.08  0.0  1.0
  P  P3  1  1.0  0.89  0.28  1.0

Ba Cd P P