data_[Mg4Ga8Te4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.2175]
_cell_length_b [11.4247]
_cell_length_c [7.1133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1791]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MgGa2TeSe6]
_chemical_formula_sum '[Mg4 Ga8 Te4 Se24]'
_cell_volume [1041.4220]
_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
[
  Mg  Mg0  4  0.0000  0.1056  0.2500  1.0
  Ga  Ga1  8  0.1944  0.4071  0.2526  1.0
  Te  Te2  4  0.0000  0.2592  0.7500  1.0
  Se  Se3  8  0.1075  0.0866  0.6345  1.0
  Se  Se4  8  0.1324  0.4265  0.5462  1.0
  Se  Se5  8  0.1416  0.2177  0.1128  1.0
]