data_[Mn2As4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  As  2.1800  1.1500  0.6600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3646]
_cell_length_b [12.7744]
_cell_length_c [7.7071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3902]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn(AsI4)2]
_chemical_formula_sum '[Mn2 As4 I16]'
_cell_volume [1103.8954]
_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  0.0000  0.0000  1.0
  As  As1  4  0.1849  0.0000  0.6069  1.0
  I  I2  8  0.1001  0.1619  0.7883  1.0
  I  I3  4  0.0912  0.5000  0.2652  1.0
  I  I4  4  0.2215  0.0000  0.2327  1.0
]