data_[Er2Mg1V1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Mg  1.3100  1.5000  0.8600
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3987]
_cell_length_b [5.4329]
_cell_length_c [5.5647]
_cell_angle_alpha [91.0521]
_cell_angle_beta [118.2514]
_cell_angle_gamma [119.6329]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Er2MgVO6]
_chemical_formula_sum '[Er2 Mg1 V1 O6]'
_cell_volume [117.9859]
_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  0.9274  0.4640  0.3989  1.0
  Er  Er1  1  0.9344  0.9727  0.9000  1.0
  Mg  Mg2  1  0.3760  0.1899  0.5679  1.0
  V  V3  1  0.3664  0.6837  0.0515  1.0
  O  O4  1  0.2262  0.8982  0.7726  1.0
  O  O5  1  0.2357  0.8109  0.2559  1.0
  O  O6  1  0.4430  0.4127  0.2608  1.0
  O  O7  1  0.4445  0.5530  0.7772  1.0
  O  O8  1  0.8512  0.0292  0.2643  1.0
  O  O9  1  0.8719  0.3241  0.7662  1.0
]