data_[Er14Si4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Si  1.9000  1.1000  0.5400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7998]
_cell_length_b [11.4463]
_cell_length_c [6.9106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9478]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er7(SiC)2]
_chemical_formula_sum '[Er14 Si4 C4]'
_cell_volume [611.0370]
_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  8  0.2470  0.1866  0.7557  1
  Er  Er1  4  0.0789  0.5000  0.7864  1
  Er  Er2  2  0.0000  0.0000  0.0000  1
  Si  Si3  4  0.0000  0.3157  0.5000  1
  C  C4  4  0.2205  0.5000  0.1081  1
]