data_[Y2Mg1Cu4O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6825]
_cell_length_b [5.6878]
_cell_length_c [6.8621]
_cell_angle_alpha [114.2347]
_cell_angle_beta [112.2576]
_cell_angle_gamma [90.0355]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Y2Mg(CuO2)4]
_chemical_formula_sum '[Y2 Mg1 Cu4 O8]'
_cell_volume [183.9461]
_cell_formula_units_Z [1]
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  1  0.1261  0.8681  0.2489  1
  Y  Y1  1  0.8751  0.1342  0.7514  1
  Mg  Mg2  1  0.6325  0.3546  0.2479  1
  Cu  Cu3  1  0.0648  0.5149  0.5770  1
  Cu  Cu4  1  0.4241  0.9332  0.9047  1
  Cu  Cu5  1  0.4888  0.5001  0.9398  1
  Cu  Cu6  1  0.5155  0.5638  0.5767  1
  O  O7  1  0.1316  0.8519  0.6120  1
  O  O8  1  0.1467  0.5262  0.8839  1
  O  O9  1  0.2709  0.1227  0.1023  1
  O  O10  1  0.4828  0.2741  0.6308  1
  O  O11  1  0.5190  0.7182  0.3854  1
  O  O12  1  0.7295  0.8618  0.8733  1
  O  O13  1  0.8286  0.4751  0.0982  1
  O  O14  1  0.8846  0.1701  0.4073  1
]