data_[Li4Mo8P8O36]
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 [Pnma]
_cell_length_a [14.5330]
_cell_length_b [6.6675]
_cell_length_c [7.8858]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LiMo2P2O9]
_chemical_formula_sum '[Li4 Mo8 P8 O36]'
_cell_volume [764.1255]
_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  0.2494  0.2500  0.0336  1
  Mo  Mo1  4  0.0000  0.0000  0.0000  1
  Mo  Mo2  4  0.1192  0.2500  0.6422  1
  P  P3  4  0.0666  0.7500  0.6465  1
  P  P4  4  0.1916  0.7500  0.1140  1
  O  O5  8  0.1301  0.5677  0.6269  1
  O  O6  8  0.1340  0.5562  0.1026  1
  O  O7  4  0.0125  0.2500  0.4817  1
  O  O8  4  0.0213  0.7500  0.8276  1
  O  O9  4  0.0531  0.2500  0.8583  1
  O  O10  4  0.2306  0.2500  0.4762  1
  O  O11  4  0.2475  0.2500  0.7800  1
]