data_YZrMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   4.68
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZrMo2
_chemical_formula_sum   'Y1 Zr1 Mo2'
_cell_volume   79.04
_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  Y2  1  0.0  0.0  0.0  1.0
  Zr  Zr3  1  0.7  0.0  0.49  1.0
  Mo  Mo0  1  0.7  0.34  0.0  1.0
  Mo  Mo1  1  0.0  0.34  0.49  1.0

data_YZrMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.68
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZrMo2
_chemical_formula_sum   'Y1 Zr1 Mo2'
_cell_volume   79.04
_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  0.0  0.0  0.0  1.0
  Zr  Zr1  1  0.7  0.0  0.49  1.0
  Mo  Mo2  1  0.0  0.34  0.49  1.0
  Mo  Mo3  1  0.7  0.34  0.0  1.0

Y Zr Mo Mo
Y Zr Mo Mo 0 2 - o o 1 3 + o o 