data_[Mn2Zn4Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Zn  1.6500  1.3500  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [3.4360]
_cell_length_b [5.1602]
_cell_length_c [8.4242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [MnZn2Cl]
_chemical_formula_sum '[Mn2 Zn4 Cl2]'
_cell_volume [149.3627]
_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
[
  Mn  Mn0  2  0.0000  0.5000  0.7542  1
  Zn  Zn1  2  0.0000  0.0000  0.9832  1
  Zn  Zn2  2  0.0000  0.5000  0.2115  1
  Cl  Cl3  2  0.0000  0.0000  0.5511  1
]