data_[Li3Mn6Cu3F18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.4302]
_cell_length_b [5.4302]
_cell_length_c [14.6718]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LiMn2CuF6]
_chemical_formula_sum '[Li3 Mn6 Cu3 F18]'
_cell_volume [374.6700]
_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  0.0014  1.0
  Mn  Mn1  3  0.0000  0.0000  0.3053  1.0
  Mn  Mn2  3  0.0000  0.0000  0.7906  1.0
  Cu  Cu3  3  0.0000  0.0000  0.5508  1.0
  F  F4  9  0.0035  0.6674  0.0508  1.0
  F  F5  9  0.0250  0.3851  0.5593  1.0
]