data_[Er2V4O13]
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 [P1]
_cell_length_a [5.2053]
_cell_length_b [5.2113]
_cell_length_c [8.4795]
_cell_angle_alpha [105.3819]
_cell_angle_beta [92.1391]
_cell_angle_gamma [93.9466]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Er2V4O13]
_chemical_formula_sum '[Er2 V4 O13]'
_cell_volume [220.8837]
_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  1  0.4502  0.8518  0.6623  1
  Er  Er1  1  0.9747  0.9059  0.9397  1
  V  V2  1  0.2627  0.2109  0.3527  1
  V  V3  1  0.4028  0.5280  0.9478  1
  V  V4  1  0.7563  0.4350  0.2895  1
  V  V5  1  0.9700  0.2634  0.6704  1
  O  O6  1  0.0135  0.2009  0.1871  1
  O  O7  1  0.1655  0.6455  0.0677  1
  O  O8  1  0.1923  0.5853  0.7554  1
  O  O9  1  0.2311  0.1831  0.8423  1
  O  O10  1  0.2804  0.1044  0.5323  1
  O  O11  1  0.4438  0.5330  0.4118  1
  O  O12  1  0.4937  0.0535  0.2507  1
  O  O13  1  0.5626  0.8407  0.9279  1
  O  O14  1  0.6135  0.4286  0.0880  1
  O  O15  1  0.7129  0.3957  0.7722  1
  O  O16  1  0.8635  0.9241  0.6698  1
  O  O17  1  0.8953  0.3234  0.4759  1
  O  O18  1  0.9079  0.7269  0.3355  1
]