data_[Li4Y2Zr4Se12]
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
  Zr  1.3300  1.5500  0.8600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7174]
_cell_length_b [11.7184]
_cell_length_c [6.9393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8830]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Y(ZrSe3)2]
_chemical_formula_sum '[Li4 Y2 Zr4 Se12]'
_cell_volume [516.8428]
_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
[
  Li  Li0  4  0.0000  0.1643  0.0000  1.0
  Y  Y1  2  0.0000  0.0000  0.5000  1.0
  Zr  Zr2  4  0.0000  0.3343  0.5000  1.0
  Se  Se3  8  0.2454  0.3262  0.2519  1.0
  Se  Se4  4  0.2366  0.5000  0.7503  1.0
]