data_[Mn8Ga4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.9678]
_cell_length_b [15.8878]
_cell_length_c [7.3562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7678]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mn2GaI6]
_chemical_formula_sum '[Mn8 Ga4 I24]'
_cell_volume [1694.5493]
_cell_formula_units_Z [4]
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  8  0.2259  0.4221  0.8659  1.0
  Ga  Ga1  4  0.0000  0.2189  0.7500  1.0
  I  I2  8  0.1031  0.1179  0.0839  1.0
  I  I3  8  0.1090  0.3119  0.6075  1.0
  I  I4  8  0.1951  0.4216  0.2018  1.0
]