data_[Y2Sc2Se2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.4468]
_cell_length_b [3.9755]
_cell_length_c [7.3864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1061]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [YScSeO2]
_chemical_formula_sum '[Y2 Sc2 Se2 O4]'
_cell_volume [176.6112]
_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  0.3114  0.7500  0.0642  1.0
  Sc  Sc1  2  0.3451  0.7500  0.5716  1.0
  Se  Se2  2  0.0309  0.2500  0.7563  1.0
  O  O3  2  0.4677  0.2500  0.6029  1.0
  O  O4  2  0.4865  0.2500  0.1337  1.0
]