data_[Li2Mg2Mn2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Mn  1.5500  1.4000  0.6483
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [6.2226]
_cell_length_b [6.2226]
_cell_length_c [10.5944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [LiMgMnCl6]
_chemical_formula_sum '[Li2 Mg2 Mn2 Cl12]'
_cell_volume [410.2249]
_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  0.3395  1.0
  Mg  Mg1  2  0.0000  0.0000  0.6580  1.0
  Mn  Mn2  2  0.0000  0.0000  0.0018  1.0
  Cl  Cl3  4  0.1783  0.8217  0.8422  1.0
  Cl  Cl4  4  0.1826  0.8174  0.1573  1.0
  Cl  Cl5  4  0.1960  0.8040  0.5009  1.0
]