data_CdAg2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.18
_cell_angle_alpha   98.74
_cell_angle_beta   98.74
_cell_angle_gamma   33.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdAg2As
_chemical_formula_sum   'Cd1 Ag2 As1'
_cell_volume   77.23
_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  Cd3  1  0.88  0.0  0.89  1.0
  Ag  Ag0  1  0.03  0.0  0.03  1.0
  Ag  Ag1  1  0.24  0.0  0.28  1.0
  As  As2  1  0.52  0.0  0.48  1.0

data_CdAg2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   5.18
_cell_length_c   5.2
_cell_angle_alpha   98.74
_cell_angle_beta   107.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdAg2As
_chemical_formula_sum   'Cd1 Ag2 As1'
_cell_volume   77.23
_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  0.89  0.88  1.0
  Ag  Ag1  1  0.0  0.03  0.03  1.0
  Ag  Ag2  1  0.0  0.28  0.24  1.0
  As  As3  1  0.0  0.48  0.52  1.0

Cd Ag Ag As