data_[Y1Al1Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.9608]
_cell_length_b [4.2969]
_cell_length_c [6.1066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3786]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [YAlMo2]
_chemical_formula_sum '[Y1 Al1 Mo2]'
_cell_volume [76.1618]
_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
[
  Y  Y0  1  0.9601  0.0000  0.4914  1
  Al  Al1  1  0.5802  0.5000  0.7959  1
  Mo  Mo2  1  0.0792  0.0000  0.0056  1
  Mo  Mo3  1  0.3806  0.5000  0.2071  1
]