data_[Mg9Sc3Cu24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.9871]
_cell_length_b [4.9871]
_cell_length_c [24.2632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Mg3ScCu8]
_chemical_formula_sum '[Mg9 Sc3 Cu24]'
_cell_volume [522.6037]
_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
[
  Mg  Mg0  3  0.0000  0.0000  0.0021  1.0
  Mg  Mg1  3  0.0000  0.0000  0.3739  1.0
  Mg  Mg2  3  0.0000  0.0000  0.4976  1.0
  Sc  Sc3  3  0.0000  0.0000  0.8756  1.0
  Cu  Cu4  9  0.0004  0.5002  0.4378  1.0
  Cu  Cu5  9  0.1672  0.3344  0.2708  1.0
  Cu  Cu6  3  0.0000  0.0000  0.1874  1.0
  Cu  Cu7  3  0.0000  0.0000  0.6876  1.0
]