data_[Er4Sc4Bi4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
  Bi  2.0200  1.6000  1.0350
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.5733]
_cell_length_b [4.5733]
_cell_length_c [15.7899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Er2Sc2Bi2C]
_chemical_formula_sum '[Er4 Sc4 Bi4 C2]'
_cell_volume [330.2418]
_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  0.0000  0.0000  0.1536  1.0
  Sc  Sc1  4  0.0000  0.5000  0.0000  1.0
  Bi  Bi2  4  0.0000  0.0000  0.3578  1.0
  C  C3  2  0.0000  0.0000  0.0000  1.0
]