data_[Li2Y1As1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  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 [6.8431]
_cell_length_b [3.9786]
_cell_length_c [6.9099]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4683]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li2YAsSe4]
_chemical_formula_sum '[Li2 Y1 As1 Se4]'
_cell_volume [177.3737]
_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
[
  Li  Li0  1  0.5000  0.0000  0.5000  1.0
  Li  Li1  1  0.5000  0.5000  0.0000  1.0
  Y  Y2  1  0.0000  0.0000  0.0000  1.0
  As  As3  1  0.0000  0.5000  0.5000  1.0
  Se  Se4  2  0.2451  0.0000  0.7353  1.0
  Se  Se5  2  0.2510  0.5000  0.2621  1.0
]