data_[La2Ta1Mo1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ta  1.5000  1.4500  0.8200
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.2526]
_cell_length_b [4.3582]
_cell_length_c [7.1778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4317]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [La2TaMo]
_chemical_formula_sum '[La2 Ta1 Mo1]'
_cell_volume [99.3617]
_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  0.6245  0.5000  0.2911  1
  La  La1  1  0.9453  0.0000  0.9641  1
  Ta  Ta2  1  0.3933  0.5000  0.7013  1
  Mo  Mo3  1  0.0370  0.0000  0.5435  1
]