data_[Li3Mn6Cu3Cl18]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.3901]
_cell_length_b [6.3901]
_cell_length_c [17.8137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LiMn2CuCl6]
_chemical_formula_sum '[Li3 Mn6 Cu3 Cl18]'
_cell_volume [629.9389]
_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  0.0092  1.0
  Mn  Mn1  3  0.0000  0.0000  0.2068  1.0
  Mn  Mn2  3  0.0000  0.0000  0.6912  1.0
  Cu  Cu3  3  0.0000  0.0000  0.4441  1.0
  Cl  Cl4  9  0.0114  0.6724  0.2782  1.0
  Cl  Cl5  9  0.0262  0.3442  0.7758  1.0
]