data_[Y4Mo4O16F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [P2_1/c]
_cell_length_a [5.1671]
_cell_length_b [12.2309]
_cell_length_c [6.6301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.1983]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [YMoO4F]
_chemical_formula_sum '[Y4 Mo4 O16 F4]'
_cell_volume [385.1307]
_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
[
  Y  Y0  4  0.1382  0.0510  0.3004  1
  Mo  Mo1  4  0.4230  0.1441  0.8704  1
  O  O2  4  0.1921  0.0646  0.9635  1
  O  O3  4  0.2569  0.6568  0.4033  1
  O  O4  4  0.3064  0.2215  0.2903  1
  O  O5  4  0.4976  0.0697  0.6615  1
  F  F6  4  0.0497  0.6013  0.9637  1
]