data_[Er2Tm8Mg4]
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 [Cmmm]
_cell_length_a [3.4634]
_cell_length_b [34.2692]
_cell_length_c [3.4186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Er(Tm2Mg)2]
_chemical_formula_sum '[Er2 Tm8 Mg4]'
_cell_volume [405.7444]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.0000  1
  Tm  Tm1  4  0.0000  0.0735  0.5000  1
  Tm  Tm2  4  0.0000  0.3549  0.0000  1
  Mg  Mg3  4  0.0000  0.2124  0.5000  1
]