data_BaCd2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.04
_cell_length_b   7.04
_cell_length_c   3.63
_cell_angle_alpha   104.65
_cell_angle_beta   104.65
_cell_angle_gamma   127.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCd2P
_chemical_formula_sum   'Ba1 Cd2 P1'
_cell_volume   118.36
_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  0.14  0.0  0.0  1.0
  Cd  Cd1  1  0.54  0.85  0.5  1.0
  Cd  Cd2  1  0.54  0.15  0.5  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_BaCd2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   5.17
_cell_length_c   7.04
_cell_angle_alpha   111.33
_cell_angle_beta   104.65
_cell_angle_gamma   90.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCd2P
_chemical_formula_sum   'Ba1 Cd2 P1'
_cell_volume   118.36
_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  -0.0  0.0  0.14  1.0
  Cd  Cd1  1  0.35  0.85  0.39  1.0
  Cd  Cd2  1  0.65  0.15  0.69  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Ba Cd Cd P
Ba Cd Cd P 0 3 o o o 0 2 o o o 1 2 o + o 