data_Cd2SnP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98
_cell_length_b   4.1
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   108.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2SnP
_chemical_formula_sum   'Cd2 Sn1 P1'
_cell_volume   91.66
_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  0.28  0.05  0.32  1.0
  Cd  Cd1  1  0.77  0.05  0.3  1.0
  Sn  Sn3  1  0.03  0.0  0.81  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_Cd2SnP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.98
_cell_length_b   4.1
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   108.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2SnP
_chemical_formula_sum   'Cd2 Sn1 P1'
_cell_volume   91.66
_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  0.28  0.05  0.32  1.0
  Cd  Cd1  1  0.77  0.05  0.3  1.0
  Sn  Sn2  1  0.03  0.0  0.81  1.0
  P  P3  1  0.0  0.0  0.0  1.0

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