data_[Li4Mo4P16O48]
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 [C2/c]
_cell_length_a [12.1160]
_cell_length_b [8.4902]
_cell_length_c [10.2107]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.3662]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiMo(PO3)4]
_chemical_formula_sum '[Li4 Mo4 P16 O48]'
_cell_volume [915.3860]
_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  0.2500  0.2500  0.0000  1
  Mo  Mo1  4  0.0000  0.0539  0.7500  1
  P  P2  8  0.0062  0.2671  0.4757  1
  P  P3  8  0.1979  0.4889  0.6959  1
  O  O4  8  0.0345  0.1273  0.4089  1
  O  O5  8  0.0440  0.2391  0.9162  1
  O  O6  8  0.0881  0.6192  0.6570  1
  O  O7  8  0.1337  0.3684  0.5544  1
  O  O8  8  0.1996  0.0703  0.8242  1
  O  O9  8  0.2285  0.4128  0.8393  1
]