data_[Pa2Co2Ni3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.0149]
_cell_length_b [3.5801]
_cell_length_c [8.1827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6705]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pa2Co2Ni3]
_chemical_formula_sum '[Pa2 Co2 Ni3]'
_cell_volume [117.4891]
_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  0.3251  0.5000  0.2081  1
  Co  Co1  2  0.2560  0.0000  0.7431  1
  Ni  Ni2  2  0.2424  0.0000  0.4357  1
  Ni  Ni3  1  0.0000  0.0000  0.0000  1
]