data_[Er12Bi2C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Bi  2.0200  1.6000  1.0350
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0261]
_cell_length_b [4.8312]
_cell_length_c [8.7167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8190]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6BiC2]
_chemical_formula_sum '[Er12 Bi2 C4]'
_cell_volume [455.7380]
_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  0.0359  0.0000  0.1916  1
  Er  Er1  4  0.1704  0.5000  0.5824  1
  Er  Er2  4  0.1915  0.5000  0.0652  1
  Bi  Bi3  2  0.0000  0.0000  0.5000  1
  C  C4  4  0.1805  0.0000  0.0935  1
]