data_[Y4Mg8Cu8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1970]
_cell_length_b [17.6411]
_cell_length_c [5.3424]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Y(MgCu)2]
_chemical_formula_sum '[Y4 Mg8 Cu8]'
_cell_volume [395.5445]
_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
[
  Y  Y0  4  0.0000  0.0866  0.3828  1.0
  Mg  Mg1  4  0.0000  0.2806  0.6121  1.0
  Mg  Mg2  4  0.0000  0.4429  0.3828  1.0
  Cu  Cu3  4  0.0000  0.1543  0.8768  1.0
  Cu  Cu4  4  0.0000  0.3139  0.1115  1.0
]