data_[La6Er4Pa2P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Er  1.2400  1.7500  1.0300
  Pa  1.5000  1.8000  1.0400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0938]
_cell_length_b [12.2869]
_cell_length_c [7.1674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2271]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3Er2PaP6]
_chemical_formula_sum '[La6 Er4 Pa2 P12]'
_cell_volume [589.8687]
_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
[
  La  La0  4  0.0000  0.1681  0.5000  1
  La  La1  2  0.0000  0.5000  0.5000  1
  Er  Er2  4  0.0000  0.3337  0.0000  1
  Pa  Pa3  2  0.0000  0.0000  0.0000  1
  P  P4  8  0.2405  0.1641  0.2297  1
  P  P5  4  0.2489  0.5000  0.2299  1
]