data_LaMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.8
_cell_length_b   6.8
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMo2
_chemical_formula_sum   'La3 Mo6'
_cell_volume   195.75
_cell_formula_units_Z   3
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  0.0  0.0  1.0
  La  La1  1  0.0  0.92  0.45  1.0
  La  La2  1  0.4  0.96  0.45  1.0
  Mo  Mo3  1  0.24  0.31  0.45  1.0
  Mo  Mo4  1  0.33  0.89  0.0  1.0
  Mo  Mo5  1  0.52  0.0  0.45  1.0
  Mo  Mo6  1  0.64  0.57  0.45  1.0
  Mo  Mo7  1  0.33  0.0  0.0  1.0
  Mo  Mo8  1  0.73  1.0  0.0  1.0

data_LaMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.89
_cell_length_b   6.8
_cell_length_c   6.8
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMo2
_chemical_formula_sum   'La3 Mo6'
_cell_volume   195.75
_cell_formula_units_Z   3
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  0.0  0.0  1.0
  La  La1  1  0.45  0.0  0.92  1.0
  La  La2  1  0.45  0.4  0.96  1.0
  Mo  Mo3  1  0.0  0.33  0.0  1.0
  Mo  Mo4  1  0.0  0.33  0.89  1.0
  Mo  Mo5  1  0.0  0.73  1.0  1.0
  Mo  Mo6  1  0.45  0.24  0.31  1.0
  Mo  Mo7  1  0.45  0.52  0.0  1.0
  Mo  Mo8  1  0.45  0.64  0.57  1.0

La La La Mo Mo Mo Mo Mo Mo