data_YCdAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   4.28
_cell_angle_alpha   101.05
_cell_angle_beta   101.05
_cell_angle_gamma   40.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCdAs2
_chemical_formula_sum   'Y1 Cd1 As2'
_cell_volume   90.66
_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  0.81  0.0  0.71  1.0
  Cd  Cd2  1  0.86  0.0  0.33  1.0
  As  As0  1  0.07  0.0  0.43  1.0
  As  As1  1  0.18  0.0  0.82  1.0

data_YCdAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.0
_cell_length_b   4.28
_cell_length_c   5.77
_cell_angle_alpha   101.05
_cell_angle_beta   110.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCdAs2
_chemical_formula_sum   'Y1 Cd1 As2'
_cell_volume   90.66
_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  Y0  1  0.0  0.71  0.81  1.0
  Cd  Cd1  1  0.0  0.33  0.86  1.0
  As  As2  1  0.0  0.43  0.07  1.0
  As  As3  1  0.0  0.82  0.18  1.0

Y Cd As As
Y Cd As As 0 2 + o o 0 1 o o o 0 3 + o o 1 2 + o o 2 3 o o o 