data_[Li4Ta4Mn2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ta  1.5000  1.4500  0.8200
  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 [6.3713]
_cell_length_b [11.0961]
_cell_length_c [6.8086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7458]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Ta2MnSe6]
_chemical_formula_sum '[Li4 Ta4 Mn2 Se12]'
_cell_volume [465.4902]
_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  0.1831  0.0000  1.0
  Ta  Ta1  4  0.0000  0.3640  0.5000  1.0
  Mn  Mn2  2  0.0000  0.0000  0.5000  1.0
  Se  Se3  8  0.2305  0.1754  0.7201  1.0
  Se  Se4  4  0.2460  0.5000  0.7637  1.0
]