data_[Mg1Cu1Pb2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4142]
_cell_length_b [5.4915]
_cell_length_c [5.7095]
_cell_angle_alpha [62.1947]
_cell_angle_beta [89.6055]
_cell_angle_gamma [61.6896]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgCu(PbO3)2]
_chemical_formula_sum '[Mg1 Cu1 Pb2 O6]'
_cell_volume [127.0875]
_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
[
  Mg  Mg0  1  0.3100  0.3739  0.9360  1.0
  Cu  Cu1  1  0.8122  0.3775  0.4413  1.0
  Pb  Pb2  1  0.0232  0.9442  0.0792  1.0
  Pb  Pb3  1  0.5280  0.9417  0.5777  1.0
  O  O4  1  0.0955  0.4586  0.2445  1.0
  O  O5  1  0.2232  0.8314  0.7660  1.0
  O  O6  1  0.4240  0.8890  0.2297  1.0
  O  O7  1  0.6106  0.1981  0.7343  1.0
  O  O8  1  0.7042  0.2000  0.2480  1.0
  O  O9  1  0.9307  0.4625  0.7281  1.0
]