data_LaSb2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   6.86
_cell_angle_alpha   111.8
_cell_angle_beta   111.8
_cell_angle_gamma   43.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSb2Mo
_chemical_formula_sum   'La1 Sb2 Mo1'
_cell_volume   108.88
_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  0.67  0.0  0.25  1.0
  Sb  Sb2  1  0.48  0.0  0.38  1.0
  Sb  Sb3  1  0.31  0.0  0.32  1.0
  Mo  Mo1  1  0.89  0.0  0.78  1.0

data_LaSb2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   5.0
_cell_length_c   6.83
_cell_angle_alpha   68.95
_cell_angle_beta   74.16
_cell_angle_gamma   68.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSb2Mo
_chemical_formula_sum   'La1 Sb2 Mo1'
_cell_volume   108.88
_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  0.0  0.42  0.25  1.0
  Sb  Sb1  1  0.0  0.1  0.38  1.0
  Sb  Sb2  1  0.0  1.0  0.32  1.0
  Mo  Mo3  1  0.0  0.11  0.78  1.0

La Sb Sb Mo