data_[Er4Pa8Co8]
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
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6154]
_cell_length_b [4.1867]
_cell_length_c [9.6900]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.8869]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er(PaCo)2]
_chemical_formula_sum '[Er4 Pa8 Co8]'
_cell_volume [423.8427]
_cell_formula_units_Z [4]
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  0.1505  0.5000  0.3225  1
  Pa  Pa1  4  0.0987  0.0000  0.8992  1
  Pa  Pa2  4  0.1299  0.5000  0.6648  1
  Co  Co3  4  0.0568  0.0000  0.4248  1
  Co  Co4  4  0.2015  0.5000  0.0970  1
]