data_[Er24Mg4Sc10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  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 [15.5590]
_cell_length_b [8.4944]
_cell_length_c [8.3989]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1989]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er12Mg2Sc5]
_chemical_formula_sum '[Er24 Mg4 Sc10]'
_cell_volume [1108.3000]
_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  8  0.1096  0.3027  0.6035  1
  Er  Er1  8  0.1828  0.1990  0.2272  1
  Er  Er2  4  0.0509  0.5000  0.2546  1
  Er  Er3  4  0.1515  0.0000  0.8739  1
  Mg  Mg4  4  0.0000  0.2205  0.0000  1
  Sc  Sc5  4  0.1559  0.5000  0.9330  1
  Sc  Sc6  4  0.2398  0.0000  0.5614  1
  Sc  Sc7  2  0.0000  0.0000  0.5000  1
]