data_[Er12Tm24Mg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.1242]
_cell_length_b [15.0592]
_cell_length_c [8.7501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Er3Tm6Mg]
_chemical_formula_sum '[Er12 Tm24 Mg4]'
_cell_volume [1202.2866]
_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
[
  Er  Er0  8  0.1781  0.1468  0.5717  1
  Er  Er1  4  0.0000  0.4560  0.0916  1
  Tm  Tm2  8  0.1734  0.3503  0.7304  1
  Tm  Tm3  8  0.2367  0.0608  0.9013  1
  Tm  Tm4  4  0.0000  0.0587  0.2162  1
  Tm  Tm5  4  0.0000  0.2844  0.3308  1
  Mg  Mg6  4  0.0000  0.2225  0.9691  1
]