data_[Er2W2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.5715]
_cell_length_b [5.9770]
_cell_length_c [6.1020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [ErWN3]
_chemical_formula_sum '[Er2 W2 N6]'
_cell_volume [130.2586]
_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  2  0.0000  0.1512  0.2869  1.0
  W  W1  2  0.5000  0.3089  0.8186  1.0
  N  N2  2  0.0000  0.2244  0.9183  1.0
  N  N3  2  0.5000  0.1074  0.5830  1.0
  N  N4  2  0.5000  0.4115  0.1977  1.0
]