data_Zr2AlMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.33
_cell_angle_alpha   95.51
_cell_angle_beta   95.51
_cell_angle_gamma   34.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2AlMo
_chemical_formula_sum   'Zr2 Al1 Mo1'
_cell_volume   77.18
_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  Zr2  1  0.08  0.0  0.31  1.0
  Zr  Zr3  1  0.14  0.0  0.99  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.61  0.0  0.65  1.0

data_Zr2AlMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   5.1
_cell_length_c   5.33
_cell_angle_alpha   95.51
_cell_angle_beta   90.0
_cell_angle_gamma   107.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2AlMo
_chemical_formula_sum   'Zr2 Al1 Mo1'
_cell_volume   77.18
_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  0.86  0.01  1.0
  Zr  Zr1  1  0.0  0.92  0.69  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.39  0.35  1.0

Zr Zr Al Mo