data_[Li1Y2Cu1Se4]
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
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7923]
_cell_length_b [4.0315]
_cell_length_c [7.0479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9228]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LiY2CuSe4]
_chemical_formula_sum '[Li1 Y2 Cu1 Se4]'
_cell_volume [179.0409]
_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  0.0000  0.5000  0.5000  1.0
  Y  Y1  1  0.5000  0.0000  0.5000  1.0
  Y  Y2  1  0.5000  0.5000  0.0000  1.0
  Cu  Cu3  1  0.0000  0.0000  0.0000  1.0
  Se  Se4  2  0.2332  0.5000  0.2354  1.0
  Se  Se5  2  0.2422  0.0000  0.7407  1.0
]