data_La2MoCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   3.5
_cell_length_c   8.4
_cell_angle_alpha   90.0
_cell_angle_beta   93.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2MoCl
_chemical_formula_sum   'La2 Mo1 Cl1'
_cell_volume   103.08
_cell_formula_units_Z   1
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  La1  1  0.59  0.75  0.34  1.0
  La  La2  1  0.36  0.75  0.04  1.0
  Mo  Mo3  1  0.72  0.0  0.19  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_La2MoCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   3.51
_cell_length_c   8.4
_cell_angle_alpha   93.85
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2MoCl
_chemical_formula_sum   'La2 Mo1 Cl1'
_cell_volume   103.08
_cell_formula_units_Z   1
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  1  0.25  0.41  0.66  1.0
  La  La1  1  0.25  0.64  0.96  1.0
  Mo  Mo2  1  0.0  0.28  0.81  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

La La Mo Cl