data_CdGeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   131.85
_cell_angle_beta   131.85
_cell_angle_gamma   70.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGeAs2
_chemical_formula_sum   'Cd1 Ge1 As2'
_cell_volume   82.6
_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  Cd2  1  0.0  0.18  0.18  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.18  0.0  0.18  1.0
  As  As1  1  0.0  0.0  0.36  1.0

data_CdGeAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   5.34
_cell_angle_alpha   114.07
_cell_angle_beta   114.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGeAs2
_chemical_formula_sum   'Cd1 Ge1 As2'
_cell_volume   82.6
_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  0.18  0.0  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.18  0.0  0.0  1.0
  As  As3  1  0.36  0.36  0.36  1.0

Cd Ge As As
Cd Ge As As 0 1 o o o 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o o 