data_Mg2CdP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97
_cell_length_b   3.97
_cell_length_c   6.98
_cell_angle_alpha   105.41
_cell_angle_beta   105.41
_cell_angle_gamma   59.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CdP
_chemical_formula_sum   'Mg2 Cd1 P1'
_cell_volume   90.35
_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
  Mg  Mg1  1  0.61  0.0  0.21  1.0
  Mg  Mg2  1  0.16  0.0  0.44  1.0
  Cd  Cd0  1  0.38  0.0  0.32  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Mg2CdP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   3.97
_cell_length_c   6.98
_cell_angle_alpha   105.41
_cell_angle_beta   90.0
_cell_angle_gamma   119.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CdP
_chemical_formula_sum   'Mg2 Cd1 P1'
_cell_volume   90.35
_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
  Mg  Mg0  1  0.0  0.39  0.79  1.0
  Mg  Mg1  1  0.0  0.84  0.56  1.0
  Cd  Cd2  1  0.0  0.62  0.68  1.0
  P  P3  1  0.0  0.0  0.0  1.0

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