data_[Pa2Ru2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Ru  2.2000  1.3000  0.6610
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.8916]
_cell_length_b [5.5704]
_cell_length_c [6.1588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1552]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PaRuSe]
_chemical_formula_sum '[Pa2 Ru2 Se2]'
_cell_volume [128.2367]
_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
[
  Pa  Pa0  2  0.3866  0.2500  0.2724  1
  Ru  Ru1  2  0.1107  0.2500  0.5630  1
  Se  Se2  2  0.2972  0.7500  0.1039  1
]