data_[Li2Cu2Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [2.5614]
_cell_length_b [4.2486]
_cell_length_c [7.7823]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2509]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiCuMo]
_chemical_formula_sum '[Li2 Cu2 Mo2]'
_cell_volume [84.6238]
_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  0.2041  0.2500  0.5679  1
  Cu  Cu1  2  0.3863  0.7500  0.7504  1
  Mo  Mo2  2  0.1569  0.7500  0.0889  1
]