data_[Er12V4O24]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [8.8938]
_cell_length_b [10.7861]
_cell_length_c [5.4678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Er3VO6]
_chemical_formula_sum '[Er12 V4 O24]'
_cell_volume [524.5139]
_cell_formula_units_Z [4]
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  8  0.2048  0.1156  0.9674  1.0
  Er  Er1  4  0.0000  0.3967  0.9136  1.0
  V  V2  4  0.0000  0.1515  0.4791  1.0
  O  O3  8  0.1502  0.2495  0.6655  1.0
  O  O4  8  0.1591  0.4850  0.1905  1.0
  O  O5  4  0.0000  0.0145  0.7900  1.0
  O  O6  4  0.0000  0.2224  0.1559  1.0
]