data_Cd2FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.91
_cell_length_b   8.91
_cell_length_c   8.91
_cell_angle_alpha   19.6
_cell_angle_beta   19.6
_cell_angle_gamma   19.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2FeP
_chemical_formula_sum   'Cd2 Fe1 P1'
_cell_volume   69.62
_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  0.0  0.0  0.03  1.0
  Cd  Cd1  1  0.0  0.0  0.98  1.0
  Fe  Fe2  1  0.0  0.0  0.46  1.0
  P  P3  1  0.0  0.0  0.04  1.0

data_Cd2FeP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.25
_cell_length_b   3.03
_cell_length_c   8.91
_cell_angle_alpha   90.0
_cell_angle_beta   101.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd2FeP
_chemical_formula_sum   'Cd4 Fe2 P2'
_cell_volume   139.25
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.97  1.0
  Cd  Cd1  2  0.0  0.0  0.02  1.0
  Fe  Fe2  2  0.0  0.0  0.54  1.0
  P  P3  2  -0.0  0.0  0.96  1.0

Cd Cd Fe P