data_[Li2Mn2Cu2Cl12]
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 [P4_2nm]
_cell_length_a [6.5149]
_cell_length_b [6.5149]
_cell_length_c [10.1853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [LiMnCuCl6]
_chemical_formula_sum '[Li2 Mn2 Cu2 Cl12]'
_cell_volume [432.2990]
_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  2  0.0000  0.0000  0.3380  1.0
  Mn  Mn1  2  0.0000  0.0000  0.0042  1.0
  Cu  Cu2  2  0.0000  0.0000  0.6620  1.0
  Cl  Cl3  4  0.1662  0.8338  0.8346  1.0
  Cl  Cl4  4  0.1737  0.8263  0.1558  1.0
  Cl  Cl5  4  0.1784  0.8216  0.5074  1.0
]