data_[Er8Bi6N2]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [9.6854]
_cell_length_b [8.5772]
_cell_length_c [6.2545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Er4Bi3N]
_chemical_formula_sum '[Er8 Bi6 N2]'
_cell_volume [519.5834]
_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  0.2009  0.3000  0.0706  1
  Er  Er1  2  0.0000  0.1804  0.6379  1
  Er  Er2  2  0.0000  0.9142  0.0674  1
  Bi  Bi3  4  0.2309  0.6604  0.0587  1
  Bi  Bi4  2  0.0000  0.8384  0.5565  1
  N  N5  2  0.0000  0.1762  0.9949  1
]