data_[Y6Cd2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Cd  1.6900  1.5500  1.0900
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3268]
_cell_length_b [3.9920]
_cell_length_c [9.4315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6754]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Y3CdSe]
_chemical_formula_sum '[Y6 Cd2 Se2]'
_cell_volume [270.1537]
_cell_formula_units_Z [2]
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  2  0.0254  0.2500  0.6766  1
  Y  Y1  2  0.3244  0.7500  0.9185  1
  Y  Y2  2  0.4507  0.7500  0.3176  1
  Cd  Cd3  2  0.1387  0.2500  0.1167  1
  Se  Se4  2  0.2662  0.7500  0.5810  1
]