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 [P2_1/m]
_cell_length_a [5.5740]
_cell_length_b [3.6483]
_cell_length_c [8.1168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9619]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ErWN3]
_chemical_formula_sum '[Er2 W2 N6]'
_cell_volume [155.1445]
_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  0.0366  0.7500  0.8209  1.0
  W  W1  2  0.4828  0.7500  0.3236  1.0
  N  N2  2  0.1979  0.7500  0.1174  1.0
  N  N3  2  0.2332  0.2500  0.7367  1.0
  N  N4  2  0.3921  0.2500  0.3898  1.0
]