data_[Er4Hf4C4]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.5358]
_cell_length_b [6.3432]
_cell_length_c [6.3178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3752]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [ErHfC]
_chemical_formula_sum '[Er4 Hf4 C4]'
_cell_volume [248.5680]
_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  0.3714  0.1572  0.1703  1
  Hf  Hf1  4  0.1133  0.6759  0.9033  1
  C  C2  4  0.1069  0.1673  0.3868  1
]