data_[Er4Co4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Co  1.8800  1.3500  0.7683
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [5.1445]
_cell_length_b [5.1503]
_cell_length_c [7.3083]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4862]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [ErCoC2]
_chemical_formula_sum '[Er4 Co4 C8]'
_cell_volume [190.4061]
_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  0.4997  0.4321  0.5000  1.0
  Co  Co1  4  0.4424  0.0682  0.8070  1.0
  C  C2  4  0.0173  0.4259  0.5708  1.0
  C  C3  4  0.1741  0.3157  0.7252  1.0
]