data_[Li4In4P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [4.0435]
_cell_length_b [11.3317]
_cell_length_c [7.7518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [LiInP2]
_chemical_formula_sum '[Li4 In4 P8]'
_cell_volume [355.1832]
_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  0.6387  0.2921  1
  In  In1  4  0.2500  0.1172  0.2686  1
  P  P2  4  0.2500  0.0614  0.5909  1
  P  P3  4  0.2500  0.6759  0.6057  1
]