data_[Zr6Pa5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Pa  1.5000  1.8000  1.0400
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.8416]
_cell_length_b [15.0000]
_cell_length_c [10.7277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6811]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Zr6Pa5]
_chemical_formula_sum '[Zr6 Pa5]'
_cell_volume [1259.2290]
_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
[
  Zr  Zr0  1  0.1941  0.5000  0.8901  1
  Zr  Zr1  1  0.3459  0.5000  0.4272  1
  Zr  Zr2  1  0.4519  0.5000  0.7082  1
  Zr  Zr3  1  0.6262  0.5000  0.2482  1
  Zr  Zr4  1  0.8121  0.5000  0.7885  1
  Zr  Zr5  1  0.9077  0.5000  0.0783  1
  Pa  Pa6  1  0.0793  0.5000  0.6142  1
  Pa  Pa7  1  0.2667  0.5000  0.1567  1
  Pa  Pa8  1  0.5475  0.5000  0.9772  1
  Pa  Pa9  1  0.7289  0.5000  0.5258  1
  Pa  Pa10  1  0.9920  0.5000  0.3476  1
]