data_[Y4Mg4Zn12]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.5387]
_cell_length_b [25.1840]
_cell_length_c [4.4770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [YMgZn3]
_chemical_formula_sum '[Y4 Mg4 Zn12]'
_cell_volume [398.9895]
_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  0.0762  0.2500  1.0
  Mg  Mg1  4  0.0000  0.2126  0.7500  1.0
  Zn  Zn2  4  0.0000  0.3238  0.7500  1.0
  Zn  Zn3  4  0.0000  0.3753  0.2500  1.0
  Zn  Zn4  4  0.0000  0.4752  0.2500  1.0
]