data_[Dy12Er3Mg3Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Er  1.2400  1.7500  1.0300
  Mg  1.3100  1.5000  0.8600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.3352]
_cell_length_b [8.3352]
_cell_length_c [20.4091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Dy4ErMgSe8]
_chemical_formula_sum '[Dy12 Er3 Mg3 Se24]'
_cell_volume [1227.9517]
_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
[
  Dy  Dy0  9  0.0093  0.5047  0.5012  1.0
  Dy  Dy1  3  0.0000  0.0000  0.3751  1.0
  Er  Er2  3  0.0000  0.0000  0.9964  1.0
  Mg  Mg3  3  0.0000  0.0000  0.6252  1.0
  Se  Se4  9  0.0238  0.5119  0.7521  1.0
  Se  Se5  9  0.1719  0.3438  0.5827  1.0
  Se  Se6  3  0.0000  0.0000  0.2418  1.0
  Se  Se7  3  0.0000  0.0000  0.7536  1.0
]