data_[Mn4Te2I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Te  2.1000  1.4000  1.2933
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.8085]
_cell_length_b [9.2923]
_cell_length_c [7.2929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9910]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2TeI8]
_chemical_formula_sum '[Mn4 Te2 I16]'
_cell_volume [1068.7188]
_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  4  0.1639  0.0000  0.4326  1.0
  Te  Te1  2  0.0000  0.0000  0.0000  1.0
  I  I2  8  0.0780  0.2245  0.2590  1.0
  I  I3  4  0.1639  0.0000  0.8060  1.0
  I  I4  4  0.1738  0.5000  0.6040  1.0
]