data_[Er2Pu10As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Pu  1.2800  1.7500  0.9675
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1526]
_cell_length_b [12.3795]
_cell_length_c [7.1300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4912]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErPu5As6]
_chemical_formula_sum '[Er2 Pu10 As12]'
_cell_volume [595.1553]
_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  0.0000  1
  Pu  Pu1  4  0.0000  0.1666  0.5000  1
  Pu  Pu2  4  0.0000  0.3334  0.0000  1
  Pu  Pu3  2  0.0000  0.5000  0.5000  1
  As  As4  8  0.2496  0.1667  0.2490  1
  As  As5  4  0.2499  0.0000  0.7505  1
]