data_[Er2V2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  V  1.6300  1.3500  0.7775
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.5026]
_cell_length_b [5.9578]
_cell_length_c [6.0135]
_cell_angle_alpha [106.5260]
_cell_angle_beta [94.7640]
_cell_angle_gamma [94.8389]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [ErVN3]
_chemical_formula_sum '[Er2 V2 N6]'
_cell_volume [119.1230]
_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  1  0.4663  0.8145  0.2867  1
  Er  Er1  1  0.6024  0.3620  0.7299  1
  V  V2  1  0.0940  0.2858  0.2380  1
  V  V3  1  0.1422  0.8217  0.7579  1
  N  N4  1  0.1238  0.0222  0.5995  1
  N  N5  1  0.1251  0.5408  0.5421  1
  N  N6  1  0.1326  0.4365  0.0305  1
  N  N7  1  0.5655  0.2186  0.3187  1
  N  N8  1  0.6689  0.7994  0.9002  1
  N  N9  1  0.9642  0.9233  0.0779  1
]