data_[Mg3In12Ag3Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.1155]
_cell_length_b [8.1155]
_cell_length_c [19.7805]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [MgIn4AgSe8]
_chemical_formula_sum '[Mg3 In12 Ag3 Se24]'
_cell_volume [1128.2414]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.9966  1.0
  In  In1  9  0.0120  0.5060  0.5015  1.0
  In  In2  3  0.0000  0.0000  0.3795  1.0
  Ag  Ag3  3  0.0000  0.0000  0.6190  1.0
  Se  Se4  9  0.0292  0.5146  0.7522  1.0
  Se  Se5  9  0.1781  0.3562  0.5825  1.0
  Se  Se6  3  0.0000  0.0000  0.2427  1.0
  Se  Se7  3  0.0000  0.0000  0.7538  1.0
]