data_YCd2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.08
_cell_length_b   10.08
_cell_length_c   10.08
_cell_angle_alpha   19.34
_cell_angle_beta   19.34
_cell_angle_gamma   19.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCd2As
_chemical_formula_sum   'Y1 Cd2 As1'
_cell_volume   98.16
_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
  Y  Y3  1  0.0  0.0  0.83  1.0
  Cd  Cd1  1  0.0  0.0  0.6  1.0
  Cd  Cd2  1  0.0  0.0  0.06  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_YCd2As
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.86
_cell_length_b   3.39
_cell_length_c   10.08
_cell_angle_alpha   90.0
_cell_angle_beta   101.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YCd2As
_chemical_formula_sum   'Y2 Cd4 As2'
_cell_volume   196.32
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Y  Y0  2  0.0  0.0  0.17  1.0
  Cd  Cd1  2  0.0  0.0  0.4  1.0
  Cd  Cd2  2  0.0  0.0  0.94  1.0
  As  As3  2  0.0  0.0  0.0  1.0

Y Cd Cd As