data_Mg2CdP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81
_cell_length_b   6.81
_cell_length_c   6.81
_cell_angle_alpha   150.83
_cell_angle_beta   146.26
_cell_angle_gamma   45.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CdP
_chemical_formula_sum   'Mg2 Cd1 P1'
_cell_volume   85.06
_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  0.0  0.0  0.15  1.0
  Mg  Mg2  1  0.71  0.0  0.95  1.0
  Cd  Cd0  1  0.0  0.98  0.45  1.0
  P  P3  1  0.0  0.0  0.02  1.0

data_Mg2CdP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   3.95
_cell_length_c   6.81
_cell_angle_alpha   106.87
_cell_angle_beta   104.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CdP
_chemical_formula_sum   'Mg2 Cd1 P1'
_cell_volume   85.06
_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  0.15  0.15  1.0
  Mg  Mg1  1  0.0  0.95  0.24  1.0
  Cd  Cd2  1  0.02  0.47  0.47  1.0
  P  P3  1  0.0  0.02  0.02  1.0

Mg Mg Cd P