data_[Y4Mo4O12]
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
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.8630]
_cell_length_b [8.0510]
_cell_length_c [5.5194]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [YMoO3]
_chemical_formula_sum '[Y4 Mo4 O12]'
_cell_volume [260.5329]
_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  0.0674  0.7500  0.0211  1.0
  Mo  Mo1  4  0.0000  0.0000  0.5000  1.0
  O  O2  8  0.1883  0.0707  0.8180  1.0
  O  O3  4  0.0640  0.2500  0.3618  1.0
]