data_[Er12Bi4C2]
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 [P2_1/c]
_cell_length_a [6.4362]
_cell_length_b [7.8393]
_cell_length_c [11.4592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.8781]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Er6Bi2C]
_chemical_formula_sum '[Er12 Bi4 C2]'
_cell_volume [490.9749]
_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  0.1366  0.1624  0.4620  1.0
  Er  Er1  4  0.3194  0.7157  0.4580  1.0
  Er  Er2  4  0.3639  0.0238  0.2546  1.0
  Bi  Bi3  4  0.1776  0.1048  0.7584  1.0
  C  C4  2  0.5000  0.0000  0.5000  1.0
]