data_[Li4Mo4P16O52]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mo  2.1600  1.4500  0.7750
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [7.2211]
_cell_length_b [8.1972]
_cell_length_c [17.3999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [LiMoP4O13]
_chemical_formula_sum '[Li4 Mo4 P16 O52]'
_cell_volume [1029.9387]
_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
[
  Li  Li0  4  0.2474  0.2469  0.4989  1
  Mo  Mo1  4  0.2328  0.2728  0.2132  1
  P  P2  4  0.0699  0.3297  0.9254  1
  P  P3  4  0.0914  0.8967  0.4238  1
  P  P4  4  0.0972  0.3487  0.6689  1
  P  P5  4  0.0997  0.8899  0.1620  1
  O  O6  4  0.0020  0.7826  0.4890  1
  O  O7  4  0.0193  0.3562  0.1490  1
  O  O8  4  0.0838  0.8059  0.7902  1
  O  O9  4  0.0847  0.3240  0.3060  1
  O  O10  4  0.0948  0.3554  0.5839  1
  O  O11  4  0.0977  0.7907  0.6254  1
  O  O12  4  0.1068  0.0711  0.4440  1
  O  O13  4  0.1169  0.8950  0.0776  1
  O  O14  4  0.1289  0.0584  0.2040  1
  O  O15  4  0.1572  0.4918  0.9210  1
  O  O16  4  0.1626  0.5130  0.7084  1
  O  O17  4  0.2070  0.1790  0.9092  1
  O  O18  4  0.2430  0.2195  0.7036  1
]