data_[Zr2Pa6]
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 [Cmm2]
_cell_length_a [2.9677]
_cell_length_b [15.0150]
_cell_length_c [17.8205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [ZrPa3]
_chemical_formula_sum '[Zr2 Pa6]'
_cell_volume [794.0868]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.4240  1
  Pa  Pa1  4  0.0000  0.1621  0.4969  1
  Pa  Pa2  2  0.0000  0.0000  0.5823  1
]