data_[Er6Np4Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Np  1.3600  1.7500  1.0000
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6086]
_cell_length_b [4.2150]
_cell_length_c [8.7997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5512]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3(NpRu2)2]
_chemical_formula_sum '[Er6 Np4 Ru8]'
_cell_volume [388.0291]
_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  4  0.1248  0.5000  0.3893  1
  Er  Er1  2  0.0000  0.0000  0.0000  1
  Np  Np2  4  0.1726  0.5000  0.7812  1
  Ru  Ru3  4  0.0898  0.0000  0.6333  1
  Ru  Ru4  4  0.2167  0.5000  0.0943  1
]