data_AlMo2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   140.94
_cell_angle_beta   122.75
_cell_angle_gamma   71.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlMo2P
_chemical_formula_sum   'Al1 Mo2 P1'
_cell_volume   60.43
_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
  Mo  Mo1  1  0.0  0.34  0.68  1.0
  Mo  Mo2  1  0.63  0.0  0.28  1.0
  P  P3  1  0.0  0.0  0.96  1.0

data_AlMo2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.68
_cell_length_c   4.88
_cell_angle_alpha   118.62
_cell_angle_beta   109.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlMo2P
_chemical_formula_sum   'Al1 Mo2 P1'
_cell_volume   60.43
_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
  Mo  Mo1  1  0.32  0.65  0.65  1.0
  Mo  Mo2  1  0.35  0.72  0.35  1.0
  P  P3  1  0.04  0.04  0.04  1.0

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