data_[Er10Pa2C8]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.6087]
_cell_length_b [3.5780]
_cell_length_c [7.2142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8671]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er5PaC4]
_chemical_formula_sum '[Er10 Pa2 C8]'
_cell_volume [392.7826]
_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  0.1616  0.0000  0.3126  1
  Er  Er1  4  0.1676  0.0000  0.8511  1
  Er  Er2  2  0.0000  0.5000  0.5000  1
  Pa  Pa3  2  0.0000  0.5000  0.0000  1
  C  C4  4  0.0019  0.0000  0.2437  1
  C  C5  4  0.1637  0.5000  0.0834  1
]