data_[Er4Mo4O16F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4892]
_cell_length_b [7.3250]
_cell_length_c [7.0118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5336]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErMoO4F]
_chemical_formula_sum '[Er4 Mo4 O16 F4]'
_cell_volume [462.0947]
_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  4  0.2019  0.0000  0.1099  1.0
  Mo  Mo1  4  0.1524  0.5000  0.2801  1.0
  O  O2  8  0.2076  0.3079  0.1575  1.0
  O  O3  4  0.0438  0.5000  0.7758  1.0
  O  O4  4  0.2413  0.5000  0.5439  1.0
  F  F5  4  0.0151  0.0000  0.8308  1.0
]