data_[La2Sc1Mo1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sc  1.3600  1.6000  0.8850
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.3845]
_cell_length_b [4.6719]
_cell_length_c [6.7941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2663]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [La2ScMo]
_chemical_formula_sum '[La2 Sc1 Mo1]'
_cell_volume [104.5627]
_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  0.6479  0.5000  0.2922  1
  La  La1  1  0.9702  0.0000  0.9636  1
  Sc  Sc2  1  0.4017  0.5000  0.7085  1
  Mo  Mo3  1  0.9802  0.0000  0.5358  1
]