data_AlBiMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   5.21
_cell_angle_alpha   97.31
_cell_angle_beta   97.31
_cell_angle_gamma   39.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlBiMo2
_chemical_formula_sum   'Al1 Bi1 Mo2'
_cell_volume   78.72
_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
  Bi  Bi1  1  0.25  0.0  0.58  1.0
  Mo  Mo2  1  0.72  0.0  0.92  1.0
  Mo  Mo3  1  0.77  0.0  0.24  1.0

data_AlBiMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   4.89
_cell_length_c   5.21
_cell_angle_alpha   97.31
_cell_angle_beta   90.0
_cell_angle_gamma   109.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlBiMo2
_chemical_formula_sum   'Al1 Bi1 Mo2'
_cell_volume   78.72
_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
  Bi  Bi1  1  0.0  0.75  0.42  1.0
  Mo  Mo2  1  0.0  0.23  0.76  1.0
  Mo  Mo3  1  0.0  0.28  0.08  1.0

Al Bi Mo Mo