data_[Na1Er2Mo1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Er  1.2400  1.7500  1.0300
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5883]
_cell_length_b [5.6350]
_cell_length_c [5.9499]
_cell_angle_alpha [61.8584]
_cell_angle_beta [62.8936]
_cell_angle_gamma [60.4260]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaEr2MoO6]
_chemical_formula_sum '[Na1 Er2 Mo1 O6]'
_cell_volume [137.4910]
_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
[
  Na  Na0  1  0.8040  0.7989  0.6048  1.0
  Er  Er1  1  0.0230  0.0090  0.9472  1.0
  Er  Er2  1  0.5273  0.5288  0.4274  1.0
  Mo  Mo3  1  0.3213  0.3229  0.0374  1.0
  O  O4  1  0.1508  0.3868  0.7739  1.0
  O  O5  1  0.2290  0.9537  0.2350  1.0
  O  O6  1  0.3906  0.6983  0.7619  1.0
  O  O7  1  0.5689  0.2385  0.2277  1.0
  O  O8  1  0.6944  0.1458  0.7682  1.0
  O  O9  1  0.9524  0.5789  0.2319  1.0
]