data_ZrMo2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   2.77
_cell_angle_alpha   100.11
_cell_angle_beta   100.11
_cell_angle_gamma   119.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMo2Au
_chemical_formula_sum   'Zr1 Mo2 Au1'
_cell_volume   70.4
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.93  0.6  0.3  1.0
  Mo  Mo2  1  0.93  0.4  0.3  1.0
  Au  Au0  1  0.82  0.0  0.0  1.0

data_ZrMo2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   5.36
_cell_length_c   5.57
_cell_angle_alpha   116.29
_cell_angle_beta   100.11
_cell_angle_gamma   98.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMo2Au
_chemical_formula_sum   'Zr1 Mo2 Au1'
_cell_volume   70.4
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.7  0.4  0.33  1.0
  Mo  Mo2  1  0.89  0.6  0.53  1.0
  Au  Au3  1  0.0  0.0  0.82  1.0

Zr Mo Mo Au