data_[Er4Tm12Mg2Sc6]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9387]
_cell_length_b [10.2883]
_cell_length_c [11.2745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3363]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er2Tm6MgSc3]
_chemical_formula_sum '[Er4 Tm12 Mg2 Sc6]'
_cell_volume [677.6812]
_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  4  0.0000  0.3335  0.0000  1.0
  Tm  Tm1  8  0.2477  0.3330  0.7430  1.0
  Tm  Tm2  4  0.2490  0.0000  0.7426  1.0
  Mg  Mg3  2  0.0000  0.0000  0.0000  1.0
  Sc  Sc4  4  0.0000  0.1657  0.5000  1.0
  Sc  Sc5  2  0.0000  0.5000  0.5000  1.0
]