data_[Y2Mg28Cu2]
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 [Amm2]
_cell_length_a [10.2507]
_cell_length_b [6.2308]
_cell_length_c [11.3589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [YMg14Cu]
_chemical_formula_sum '[Y2 Mg28 Cu2]'
_cell_volume [725.4904]
_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
[
  Y  Y0  2  0.5000  0.0000  0.1840  1.0
  Mg  Mg1  8  0.2500  0.2491  0.5804  1.0
  Mg  Mg2  4  0.0000  0.2456  0.9173  1.0
  Mg  Mg3  4  0.2407  0.0000  0.3336  1.0
  Mg  Mg4  4  0.2764  0.0000  0.8196  1.0
  Mg  Mg5  4  0.5000  0.2386  0.4358  1.0
  Mg  Mg6  2  0.0000  0.0000  0.1655  1.0
  Mg  Mg7  2  0.0000  0.0000  0.6689  1.0
  Cu  Cu8  2  0.5000  0.0000  0.6474  1.0
]