data_Y4Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.91
_cell_length_b   8.91
_cell_length_c   8.91
_cell_angle_alpha   153.02
_cell_angle_beta   153.02
_cell_angle_gamma   38.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y4Mo
_chemical_formula_sum   'Y4 Mo1'
_cell_volume   145.35
_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  Y1  1  0.08  0.0  0.21  1.0
  Y  Y2  1  0.0  0.0  0.98  1.0
  Y  Y3  1  0.0  0.0  0.84  1.0
  Y  Y4  1  0.0  0.08  0.21  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0

data_Y4Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   8.91
_cell_angle_alpha   90.0
_cell_angle_beta   109.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y4Mo
_chemical_formula_sum   'Y8 Mo2'
_cell_volume   290.69
_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  4  0.04  0.04  0.87  1.0
  Y  Y1  2  0.0  0.0  0.02  1.0
  Y  Y2  2  0.0  0.0  0.16  1.0
  Mo  Mo3  2  0.0  0.0  0.0  1.0

Y Y Y Y Mo
Y Y Y Y Mo 0 3 o o o 1 4 o o + 1 2 o o o 2 4 o o + 