data_[Ba2La1Cu3O7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  La  1.1000  1.9500  1.1720
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.9120]
_cell_length_b [3.9786]
_cell_length_c [11.9009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Ba2LaCu3O7]
_chemical_formula_sum '[Ba2 La1 Cu3 O7]'
_cell_volume [185.2298]
_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  2  0.0000  0.0000  0.1790  1.0
  La  La1  1  0.0000  0.0000  0.5000  1.0
  Cu  Cu2  2  0.5000  0.5000  0.3443  1.0
  Cu  Cu3  1  0.5000  0.5000  0.0000  1.0
  O  O4  2  0.0000  0.5000  0.3691  1.0
  O  O5  2  0.5000  0.0000  0.3663  1.0
  O  O6  2  0.5000  0.5000  0.1576  1.0
  O  O7  1  0.5000  0.0000  0.0000  1.0
]