data_[Er3N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.4663]
_cell_length_b [3.5146]
_cell_length_c [8.8133]
_cell_angle_alpha [93.0229]
_cell_angle_beta [92.4243]
_cell_angle_gamma [118.6495]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Er3N4]
_chemical_formula_sum '[Er3 N4]'
_cell_volume [93.8134]
_cell_formula_units_Z [1]
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  2  0.3971  0.7129  0.3144  1
  Er  Er1  1  0.0000  0.0000  0.0000  1
  N  N2  2  0.1173  0.1340  0.4497  1
  N  N3  2  0.2971  0.6252  0.8431  1
]