data_LaBMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBMo2
_chemical_formula_sum   'La1 B1 Mo2'
_cell_volume   69.02
_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  0.58  0.58  0.08  1.0
  B  B0  1  0.0  0.0  0.79  1.0
  Mo  Mo2  1  0.0  0.0  0.48  1.0
  Mo  Mo3  1  0.58  0.58  0.03  1.0

data_LaBMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaBMo2
_chemical_formula_sum   'La2 B2 Mo4'
_cell_volume   138.03
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.08  0.5  0.08  1.0
  B  B1  2  0.0  0.0  0.79  1.0
  Mo  Mo2  2  0.0  0.0  0.48  1.0
  Mo  Mo3  2  0.08  0.5  0.03  1.0

La B Mo Mo
La B Mo Mo 0 3 o o o 1 3 - - + 1 2 o o o 