data_[Er16Sb2C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sb  2.0500  1.4500  0.8300
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1406]
_cell_length_b [3.6046]
_cell_length_c [11.7404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.0326]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8SbC4]
_chemical_formula_sum '[Er16 Sb2 C8]'
_cell_volume [547.1805]
_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  4  0.0419  0.5000  0.7355  1
  Er  Er1  4  0.1322  0.0000  0.5886  1
  Er  Er2  4  0.1636  0.0000  0.3380  1
  Er  Er3  4  0.2031  0.0000  0.0673  1
  Sb  Sb4  2  0.0000  0.5000  0.0000  1
  C  C5  4  0.1476  0.5000  0.4587  1
  C  C6  4  0.1669  0.0000  0.8293  1
]