data_[Y2Ag2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7192]
_cell_length_b [5.7234]
_cell_length_c [7.2956]
_cell_angle_alpha [66.9552]
_cell_angle_beta [67.1657]
_cell_angle_gamma [89.9645]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [YAgSe2]
_chemical_formula_sum '[Y2 Ag2 Se4]'
_cell_volume [199.2815]
_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  1  0.0023  0.9988  0.0013  1.0
  Y  Y1  1  0.7449  0.2496  0.5028  1.0
  Ag  Ag2  1  0.2543  0.7512  0.5046  1.0
  Ag  Ag3  1  0.5052  0.4962  0.9953  1.0
  Se  Se4  1  0.2346  0.2383  0.5275  1.0
  Se  Se5  1  0.5139  0.0080  0.9769  1.0
  Se  Se6  1  0.7657  0.7627  0.4761  1.0
  Se  Se7  1  0.9877  0.4852  0.0282  1.0
]