data_YCd2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55
_cell_length_b   6.55
_cell_length_c   6.55
_cell_angle_alpha   143.82
_cell_angle_beta   143.77
_cell_angle_gamma   52.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCd2Se
_chemical_formula_sum   'Y1 Cd2 Se1'
_cell_volume   97.61
_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  0.89  1.0
  Cd  Cd0  1  0.03  0.0  0.88  1.0
  Cd  Cd1  1  0.0  0.04  0.0  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

data_YCd2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   6.55
_cell_angle_alpha   108.11
_cell_angle_beta   108.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCd2Se
_chemical_formula_sum   'Y1 Cd2 Se1'
_cell_volume   97.61
_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  0.11  0.11  0.11  1.0
  Cd  Cd1  1  0.15  0.12  0.15  1.0
  Cd  Cd2  1  1.0  0.04  0.04  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Y Cd Cd Se