data_[Li4Zr4Mn2Se12]
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
  Mn  1.5500  1.4000  0.6483
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6158]
_cell_length_b [11.6176]
_cell_length_c [6.8802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8017]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Zr2MnSe6]
_chemical_formula_sum '[Li4 Zr4 Mn2 Se12]'
_cell_volume [500.5993]
_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  0.1691  0.0000  1.0
  Zr  Zr1  4  0.0000  0.3341  0.5000  1.0
  Mn  Mn2  2  0.0000  0.0000  0.5000  1.0
  Se  Se3  8  0.2471  0.1686  0.7413  1.0
  Se  Se4  4  0.2491  0.0000  0.2609  1.0
]