data_[Er8Th4Re4C16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Th  1.3000  1.8000  1.0800
  Re  1.9000  1.3500  0.7125
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.4975]
_cell_length_b [12.1321]
_cell_length_c [12.0727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Er2ThReC4]
_chemical_formula_sum '[Er8 Th4 Re4 C16]'
_cell_volume [512.2737]
_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  8  0.0000  0.3719  0.5392  1
  Th  Th1  4  0.0000  0.0921  0.7500  1
  Re  Re2  4  0.0000  0.1689  0.2500  1
  C  C3  8  0.0000  0.2679  0.1298  1
  C  C4  4  0.0000  0.0000  0.0000  1
  C  C5  4  0.0000  0.4215  0.7500  1
]