data_Cd2FeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.29
_cell_length_b   7.29
_cell_length_c   7.29
_cell_angle_alpha   157.39
_cell_angle_beta   149.53
_cell_angle_gamma   38.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2FeAs
_chemical_formula_sum   'Cd2 Fe1 As1'
_cell_volume   75.55
_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  Cd1  1  0.43  0.0  0.48  1.0
  Cd  Cd2  1  0.0  0.92  0.41  1.0
  Fe  Fe3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.89  1.0

data_Cd2FeAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   3.83
_cell_length_c   7.29
_cell_angle_alpha   105.24
_cell_angle_beta   101.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2FeAs
_chemical_formula_sum   'Cd2 Fe1 As1'
_cell_volume   75.55
_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  0.59  0.51  0.51  1.0
  Cd  Cd1  1  0.95  0.52  0.95  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  As  As3  1  0.11  0.11  0.11  1.0

Cd Cd Fe As