data_[Er2Hf2In2C2]
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
  In  1.7800  1.5500  0.9400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.4317]
_cell_length_b [3.4317]
_cell_length_c [15.5428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [ErHfInC]
_chemical_formula_sum '[Er2 Hf2 In2 C2]'
_cell_volume [158.5197]
_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  2  0.3333  0.6667  0.5872  1
  Hf  Hf1  2  0.3333  0.6667  0.9232  1
  In  In2  2  0.3333  0.6667  0.2385  1
  C  C3  1  0.0000  0.0000  0.0000  1
  C  C4  1  0.0000  0.0000  0.5000  1
]