data_[Pa2Ni14Sn4As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.3548]
_cell_length_b [5.4020]
_cell_length_c [13.7554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.1617]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PaNi7(SnAs)2]
_chemical_formula_sum '[Pa2 Ni14 Sn4 As4]'
_cell_volume [396.2803]
_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  0.0000  0.0000  0.0000  1
  Ni  Ni1  8  0.2161  0.2508  0.8599  1
  Ni  Ni2  4  0.1142  0.5000  0.4161  1
  Ni  Ni3  2  0.0000  0.5000  0.0000  1
  Sn  Sn4  4  0.1291  0.0000  0.4057  1
  As  As5  4  0.0597  0.5000  0.2455  1
]