data_[Mg1Mn2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P-1]
_cell_length_a [3.7139]
_cell_length_b [8.2420]
_cell_length_c [10.0831]
_cell_angle_alpha [88.7829]
_cell_angle_beta [86.8287]
_cell_angle_gamma [86.1720]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mg(MnCl4)2]
_chemical_formula_sum '[Mg1 Mn2 Cl8]'
_cell_volume [307.4375]
_cell_formula_units_Z [1]
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
[
  Mg  Mg0  1  0.5000  0.0000  0.0000  1
  Mn  Mn1  2  0.0630  0.2492  0.7498  1
  Cl  Cl2  2  0.0160  0.5066  0.7071  1
  Cl  Cl3  2  0.0501  0.9683  0.8283  1
  Cl  Cl4  2  0.3566  0.8104  0.3955  1
  Cl  Cl5  2  0.4146  0.2878  0.9340  1
]