data_MnCdP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   3.54
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   106.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCdP2
_chemical_formula_sum   'Mn1 Cd1 P2'
_cell_volume   67.75
_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
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.21  0.0  0.73  1.0
  P  P2  1  0.3  0.77  1.0  1.0
  P  P3  1  0.62  0.77  0.46  1.0

data_MnCdP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   3.54
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   106.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCdP2
_chemical_formula_sum   'Mn1 Cd1 P2'
_cell_volume   67.75
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.21  0.0  0.73  1.0
  P  P2  1  0.3  0.77  1.0  1.0
  P  P3  1  0.62  0.77  0.46  1.0

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