data_[La2Mo2Cl4]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.5573]
_cell_length_b [3.4967]
_cell_length_c [5.0855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5881]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LaMoCl2]
_chemical_formula_sum '[La2 Mo2 Cl4]'
_cell_volume [205.5072]
_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
[
  La  La0  2  0.4827  0.0000  0.4349  1
  Mo  Mo1  2  0.3119  0.5000  0.6844  1
  Cl  Cl2  2  0.2150  0.0000  0.4309  1
  Cl  Cl3  2  0.4904  0.5000  0.9497  1
]