data_[Li4Zr4Cr2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zr  1.3300  1.5500  0.8600
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4712]
_cell_length_b [11.1964]
_cell_length_c [6.9328]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1822]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Zr2CrSe6]
_chemical_formula_sum '[Li4 Zr4 Cr2 Se12]'
_cell_volume [477.2290]
_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  0.1710  0.0000  1.0
  Zr  Zr1  4  0.0000  0.3332  0.5000  1.0
  Cr  Cr2  2  0.0000  0.0000  0.5000  1.0
  Se  Se3  8  0.2398  0.1576  0.7410  1.0
  Se  Se4  4  0.2343  0.0000  0.2607  1.0
]