data_[Pa4Cu2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3924]
_cell_length_b [4.0103]
_cell_length_c [6.9980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3379]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pa2CuSe4]
_chemical_formula_sum '[Pa4 Cu2 Se8]'
_cell_volume [358.7968]
_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  4  0.2428  0.5000  0.7415  1
  Cu  Cu1  2  0.0000  0.0000  0.0000  1
  Se  Se2  4  0.1169  0.0000  0.8064  1
  Se  Se3  4  0.1176  0.5000  0.2796  1
]