data_[Ba1Sr1Sm1Cu3O7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Sm  1.1700  1.8500  1.2290
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.7936]
_cell_length_b [3.9279]
_cell_length_c [11.7265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [BaSrSmCu3O7]
_chemical_formula_sum '[Ba1 Sr1 Sm1 Cu3 O7]'
_cell_volume [174.7358]
_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  0.5000  0.1770  1.0
  Sr  Sr1  1  0.5000  0.5000  0.8206  1.0
  Sm  Sm2  1  0.5000  0.5000  0.5037  1.0
  Cu  Cu3  1  0.0000  0.0000  0.3490  1.0
  Cu  Cu4  1  0.0000  0.0000  0.6584  1.0
  Cu  Cu5  1  0.0000  0.0000  0.9955  1.0
  O  O6  1  0.0000  0.0000  0.1550  1.0
  O  O7  1  0.0000  0.0000  0.8373  1.0
  O  O8  1  0.0000  0.5000  0.3742  1.0
  O  O9  1  0.0000  0.5000  0.6354  1.0
  O  O10  1  0.0000  0.5000  0.9866  1.0
  O  O11  1  0.5000  0.0000  0.3779  1.0
  O  O12  1  0.5000  0.0000  0.6294  1.0
]