data_AlVMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   2.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlVMo2
_chemical_formula_sum   'Al1 V1 Mo2'
_cell_volume   60.58
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  V  V3  1  0.69  0.0  0.0  1.0
  Mo  Mo1  1  0.34  0.13  0.32  1.0
  Mo  Mo2  1  0.34  0.87  0.32  1.0

data_AlVMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   115.57
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlVMo2
_chemical_formula_sum   'Al1 V1 Mo2'
_cell_volume   60.58
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  V  V1  1  0.0  0.69  0.0  1.0
  Mo  Mo2  1  0.32  0.34  0.13  1.0
  Mo  Mo3  1  0.32  0.34  0.87  1.0

Al V Mo Mo
Al V Mo Mo 0 1 - o o 0 2 o o o 1 3 o - o 2 3 o - o 