data_[Er8Tc4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tc  1.9000  1.3500  0.7417
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.5268]
_cell_length_b [5.0489]
_cell_length_c [9.7953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Er2TcC2]
_chemical_formula_sum '[Er8 Tc4 C8]'
_cell_volume [322.7819]
_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  0.0340  0.7500  0.7165  1
  Er  Er1  4  0.1758  0.7500  0.0578  1
  Tc  Tc2  4  0.2164  0.7500  0.3675  1
  C  C3  4  0.0513  0.2500  0.7413  1
  C  C4  4  0.1768  0.2500  0.0510  1
]