data_ZrCd2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   134.21
_cell_angle_beta   134.21
_cell_angle_gamma   66.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCd2As
_chemical_formula_sum   'Zr1 Cd2 As1'
_cell_volume   83.01
_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
  Zr  Zr3  1  0.0  0.13  0.29  1.0
  Cd  Cd1  1  0.13  0.0  0.29  1.0
  Cd  Cd2  1  0.0  0.0  0.57  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_ZrCd2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   5.48
_cell_angle_alpha   112.9
_cell_angle_beta   112.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCd2As
_chemical_formula_sum   'Zr1 Cd2 As1'
_cell_volume   83.01
_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
  Zr  Zr0  1  0.84  0.13  0.84  1.0
  Cd  Cd1  1  0.43  0.0  0.43  1.0
  Cd  Cd2  1  0.71  0.0  0.84  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Zr Cd Cd As