data_Cd2CuAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   3.19
_cell_angle_alpha   91.97
_cell_angle_beta   91.97
_cell_angle_gamma   111.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2CuAs
_chemical_formula_sum   'Cd2 Cu1 As1'
_cell_volume   77.69
_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  0.34  0.88  0.59  1.0
  Cd  Cd2  1  0.34  0.12  0.59  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.88  0.0  0.0  1.0

data_Cd2CuAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   111.49
_cell_angle_beta   91.97
_cell_angle_gamma   91.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2CuAs
_chemical_formula_sum   'Cd2 Cu1 As1'
_cell_volume   77.69
_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  0.34  0.12  1.0
  Cd  Cd1  1  0.59  0.34  0.88  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  As  As3  1  0.0  0.88  0.0  1.0

Cd Cd Cu As