data_[La6Mo6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.7587]
_cell_length_b [3.4877]
_cell_length_c [7.1137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3418]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LaMo]
_chemical_formula_sum '[La6 Mo6]'
_cell_volume [303.7637]
_cell_formula_units_Z [6]
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
[
  La  La0  2  0.1311  0.5000  0.7785  1
  La  La1  2  0.1445  0.5000  0.3023  1
  La  La2  2  0.3555  0.0000  0.6643  1
  Mo  Mo3  2  0.3039  0.0000  0.0968  1
  Mo  Mo4  2  0.4221  0.5000  0.3098  1
  Mo  Mo5  2  0.4762  0.5000  0.0150  1
]