data_ZnCd2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.29
_cell_angle_alpha   98.64
_cell_angle_beta   98.64
_cell_angle_gamma   34.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCd2As
_chemical_formula_sum   'Zn1 Cd2 As1'
_cell_volume   80.96
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.94  0.0  0.96  1.0
  Cd  Cd2  1  0.3  0.0  0.26  1.0
  As  As0  1  0.62  0.0  0.61  1.0

data_ZnCd2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   5.26
_cell_length_c   5.29
_cell_angle_alpha   98.64
_cell_angle_beta   90.0
_cell_angle_gamma   107.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCd2As
_chemical_formula_sum   'Zn1 Cd2 As1'
_cell_volume   80.96
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.06  0.04  1.0
  Cd  Cd2  1  0.0  0.7  0.74  1.0
  As  As3  1  0.0  0.38  0.39  1.0

Zn Cd Cd As
Zn Cd Cd As 0 1 - o - 0 2 o o o 0 3 - o - 1 2 + o + 1 3 o o o 2 3 o o o 