data_MoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77
_cell_length_b   6.68
_cell_length_c   7.74
_cell_angle_alpha   64.93
_cell_angle_beta   88.31
_cell_angle_gamma   74.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoO4
_chemical_formula_sum   'Mo2 O8'
_cell_volume   169.69
_cell_formula_units_Z   2
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
  Mo  Mo0  1  0.06  0.9  0.56  1.0
  Mo  Mo1  1  0.7  0.88  0.42  1.0
  O  O2  1  0.05  0.16  0.85  1.0
  O  O3  1  0.7  0.62  0.13  1.0
  O  O4  1  0.58  0.48  0.9  1.0
  O  O5  1  0.17  0.3  0.07  1.0
  O  O6  1  0.82  0.64  0.72  1.0
  O  O7  1  0.93  0.14  0.26  1.0
  O  O8  1  0.08  0.19  0.68  1.0
  O  O9  1  0.68  0.59  0.3  1.0

data_MoO4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.77
_cell_length_b   6.68
_cell_length_c   7.74
_cell_angle_alpha   64.93
_cell_angle_beta   88.31
_cell_angle_gamma   74.76
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MoO4
_chemical_formula_sum   'Mo2 O8'
_cell_volume   169.69
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Mo  Mo0  2  0.32  0.49  0.93  1.0
  O  O1  2  0.2  0.09  0.42  1.0
  O  O2  2  0.3  0.2  0.81  1.0
  O  O3  2  0.33  0.23  0.64  1.0
  O  O4  2  0.45  0.25  0.23  1.0

Mo Mo O O O O O O O O