data_[Y1Ag2As1Se4]
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
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9162]
_cell_length_b [4.0667]
_cell_length_c [7.0405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9901]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [YAg2AsSe4]
_chemical_formula_sum '[Y1 Ag2 As1 Se4]'
_cell_volume [186.0933]
_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  0.0000  0.0000  0.0000  1
  Ag  Ag1  1  0.5000  0.0000  0.5000  1
  Ag  Ag2  1  0.5000  0.5000  0.0000  1
  As  As3  1  0.0000  0.5000  0.5000  1
  Se  Se4  2  0.2405  0.0000  0.7363  1
  Se  Se5  2  0.2413  0.5000  0.2593  1
]