data_[Er4Pa4Se14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Pa  1.5000  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.0151]
_cell_length_b [14.6841]
_cell_length_c [9.0189]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Er2Pa2Se7]
_chemical_formula_sum '[Er4 Pa4 Se14]'
_cell_volume [531.7423]
_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
[
  Er  Er0  2  0.0000  0.0000  0.7836  1
  Er  Er1  2  0.0000  0.5000  0.8223  1
  Pa  Pa2  4  0.0000  0.2605  0.5933  1
  Se  Se3  4  0.0000  0.1401  0.2827  1
  Se  Se4  4  0.0000  0.1819  0.8903  1
  Se  Se5  4  0.0000  0.3901  0.1027  1
  Se  Se6  2  0.0000  0.5000  0.5098  1
]