data_[Mn4Ga4I4Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7967]
_cell_length_b [7.3801]
_cell_length_c [11.0756]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8335]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnGaICl4]
_chemical_formula_sum '[Mn4 Ga4 I4 Cl16]'
_cell_volume [987.9274]
_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  4  0.0587  0.0000  0.1921  1.0
  Ga  Ga1  4  0.1406  0.5000  0.3661  1.0
  I  I2  4  0.1563  0.0000  0.0326  1.0
  Cl  Cl3  8  0.0209  0.2635  0.3001  1.0
  Cl  Cl4  4  0.2225  0.5000  0.5933  1.0
  Cl  Cl5  4  0.2414  0.5000  0.2682  1.0
]