data_[Li3Ta3Mn6Se18]
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 [R3]
_cell_length_a [6.5106]
_cell_length_b [6.5106]
_cell_length_c [17.7852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LiTa(MnSe3)2]
_chemical_formula_sum '[Li3 Ta3 Mn6 Se18]'
_cell_volume [652.8738]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.8170  1.0
  Ta  Ta1  3  0.0000  0.0000  0.3296  1.0
  Mn  Mn2  3  0.0000  0.0000  0.0015  1.0
  Mn  Mn3  3  0.0000  0.0000  0.5112  1.0
  Se  Se4  9  0.0099  0.3233  0.9172  1.0
  Se  Se5  9  0.0324  0.6987  0.0826  1.0
]