data_LaScMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.66
_cell_angle_alpha   110.35
_cell_angle_beta   110.35
_cell_angle_gamma   38.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaScMo2
_chemical_formula_sum   'La1 Sc1 Mo2'
_cell_volume   94.72
_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  0.03  0.0  0.63  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.29  0.0  0.82  1.0
  Mo  Mo2  1  0.76  0.0  0.44  1.0

data_LaScMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   5.37
_cell_length_c   5.66
_cell_angle_alpha   110.35
_cell_angle_beta   90.0
_cell_angle_gamma   109.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaScMo2
_chemical_formula_sum   'La1 Sc1 Mo2'
_cell_volume   94.72
_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  0.97  0.37  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.24  0.56  1.0
  Mo  Mo3  1  0.0  0.71  0.18  1.0

La Sc Mo Mo