data_[Y2Mg2Cu4]
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 [Cm]
_cell_length_a [9.9954]
_cell_length_b [3.2188]
_cell_length_c [4.9338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5912]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [YMgCu2]
_chemical_formula_sum '[Y2 Mg2 Cu4]'
_cell_volume [150.4550]
_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  0.2674  0.0000  0.7898  1
  Mg  Mg1  2  0.4781  0.0000  0.4375  1
  Cu  Cu2  2  0.0287  0.0000  0.0053  1
  Cu  Cu3  2  0.2258  0.5000  0.2674  1
]