data_[Li4In2Mo2]
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
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.7142]
_cell_length_b [2.7168]
_cell_length_c [5.3361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.1846]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Li2InMo]
_chemical_formula_sum '[Li4 In2 Mo2]'
_cell_volume [139.3831]
_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
[
  Li  Li0  2  0.0053  0.0000  0.9044  1
  Li  Li1  2  0.2484  0.0000  0.8460  1
  In  In2  2  0.2502  0.5000  0.3529  1
  Mo  Mo3  2  0.4962  0.0000  0.3967  1
]