data_[Sr1Pa1Cu10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pa  1.5000  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.0631]
_cell_length_b [5.2020]
_cell_length_c [8.8658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [SrPaCu10]
_chemical_formula_sum '[Sr1 Pa1 Cu10]'
_cell_volume [187.3926]
_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  0.0000  1
  Pa  Pa1  1  0.0000  0.5000  0.5000  1
  Cu  Cu2  4  0.5000  0.2596  0.2636  1
  Cu  Cu3  2  0.0000  0.0000  0.3412  1
  Cu  Cu4  2  0.0000  0.5000  0.1742  1
  Cu  Cu5  1  0.5000  0.0000  0.5000  1
  Cu  Cu6  1  0.5000  0.5000  0.0000  1
]