data_[Ca2Mg2Mn2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [6.1909]
_cell_length_b [6.1909]
_cell_length_c [11.6413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [CaMgMnCl6]
_chemical_formula_sum '[Ca2 Mg2 Mn2 Cl12]'
_cell_volume [446.1866]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.6667  1.0
  Mg  Mg1  2  0.0000  0.0000  0.3341  1.0
  Mn  Mn2  2  0.0000  0.0000  0.9989  1.0
  Cl  Cl3  4  0.1844  0.8156  0.1674  1.0
  Cl  Cl4  4  0.2018  0.7982  0.4883  1.0
  Cl  Cl5  4  0.2036  0.7964  0.8444  1.0
]