data_[Mn2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0577]
_cell_length_b [17.6494]
_cell_length_c [17.6494]
_cell_angle_alpha [120.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MnCl2]
_chemical_formula_sum '[Mn2 Cl4]'
_cell_volume [1364.4102]
_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  1  0.1334  0.9555  0.4849  1
  Mn  Mn1  1  0.8665  0.0451  0.5255  1
  Cl  Cl2  1  0.0000  0.0076  0.6269  1
  Cl  Cl3  1  0.0024  0.8302  0.3852  1
  Cl  Cl4  1  0.5000  0.9964  0.4404  1
  Cl  Cl5  1  0.9976  0.1652  0.5371  1
]