data_[Er1Hf2Pa1C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Hf  1.3000  1.5500  0.8500
  Pa  1.5000  1.8000  1.0400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.9182]
_cell_length_b [3.4203]
_cell_length_c [5.9953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1744]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [ErHf2PaC4]
_chemical_formula_sum '[Er1 Hf2 Pa1 C4]'
_cell_volume [114.6261]
_cell_formula_units_Z [1]
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  1  0.5000  0.0000  0.5000  1
  Hf  Hf1  1  0.0000  0.0000  0.0000  1
  Hf  Hf2  1  0.5000  0.5000  0.0000  1
  Pa  Pa3  1  0.0000  0.5000  0.5000  1
  C  C4  2  0.2378  0.5000  0.2344  1
  C  C5  2  0.2504  0.0000  0.7665  1
]