data_YTa2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.6
_cell_length_b   9.6
_cell_length_c   9.6
_cell_angle_alpha   19.04
_cell_angle_beta   19.04
_cell_angle_gamma   19.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTa2Mo
_chemical_formula_sum   'Y1 Ta2 Mo1'
_cell_volume   82.32
_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  Y3  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.0  0.0  0.57  1.0
  Ta  Ta2  1  0.0  0.0  0.7  1.0
  Mo  Mo0  1  0.0  0.0  0.14  1.0

data_YTa2Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.5
_cell_length_b   3.18
_cell_length_c   9.6
_cell_angle_alpha   90.0
_cell_angle_beta   101.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTa2Mo
_chemical_formula_sum   'Y2 Ta4 Mo2'
_cell_volume   164.65
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ta  Ta1  2  -0.0  0.0  0.3  1.0
  Ta  Ta2  2  -0.0  0.0  0.43  1.0
  Mo  Mo3  2  -0.0  0.0  0.86  1.0

Y Ta Ta Mo
Y Ta Ta Mo 0 3 o o o 1 2 o o o 