data_[Ba1Y1Mg1Cu1Ag1O5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.7296]
_cell_length_b [4.3397]
_cell_length_c [10.4584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [BaYMgCuAgO5]
_chemical_formula_sum '[Ba1 Y1 Mg1 Cu1 Ag1 O5]'
_cell_volume [169.2744]
_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
[
  Ba  Ba0  1  0.5000  0.0000  0.8972  1
  Y  Y1  1  0.5000  0.0000  0.5601  1
  Mg  Mg2  1  0.5000  0.5000  0.1462  1
  Cu  Cu3  1  0.0000  0.5000  0.6905  1
  Ag  Ag4  1  0.0000  0.5000  0.4147  1
  O  O5  1  0.0000  0.0000  0.4525  1
  O  O6  1  0.0000  0.0000  0.7323  1
  O  O7  1  0.0000  0.5000  0.0478  1
  O  O8  1  0.5000  0.5000  0.3234  1
  O  O9  1  0.5000  0.5000  0.6642  1
]