data_[Sr1Y1Cu1Bi1O5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Y  1.2200  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.8976]
_cell_length_b [3.8976]
_cell_length_c [9.0421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [SrYCuBiO5]
_chemical_formula_sum '[Sr1 Y1 Cu1 Bi1 O5]'
_cell_volume [137.3641]
_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
[
  Sr  Sr0  1  0.0000  0.0000  0.0648  1
  Y  Y1  1  0.0000  0.0000  0.4444  1
  Cu  Cu2  1  0.5000  0.5000  0.2508  1
  Bi  Bi3  1  0.5000  0.5000  0.7178  1
  O  O4  2  0.0000  0.5000  0.2730  1
  O  O5  2  0.0000  0.5000  0.5902  1
  O  O6  1  0.5000  0.5000  0.9837  1
]