data_[Er1V2Mo1O8]
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
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.7859]
_cell_length_b [5.7859]
_cell_length_c [6.1611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [ErV2MoO8]
_chemical_formula_sum '[Er1 V2 Mo1 O8]'
_cell_volume [178.6193]
_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  0.0000  0.0000  0.0000  1
  V  V1  2  0.3333  0.6667  0.6636  1
  Mo  Mo2  1  0.0000  0.0000  0.5000  1
  O  O3  6  0.1603  0.3207  0.7437  1
  O  O4  2  0.3333  0.6667  0.3999  1
]