data_[Pa4As1Ru1Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  As  2.1800  1.1500  0.6600
  Ru  2.2000  1.3000  0.6610
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1119]
_cell_length_b [3.9388]
_cell_length_c [7.1604]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9573]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pa4AsRuSe2]
_chemical_formula_sum '[Pa4 As1 Ru1 Se2]'
_cell_volume [190.8084]
_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
[
  Pa  Pa0  2  0.2295  0.0000  0.7311  1
  Pa  Pa1  2  0.2400  0.5000  0.2574  1
  As  As2  1  0.0000  0.0000  0.0000  1
  Ru  Ru3  1  0.0000  0.5000  0.5000  1
  Se  Se4  1  0.5000  0.0000  0.5000  1
  Se  Se5  1  0.5000  0.5000  0.0000  1
]