data_FeBiMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   2.96
_cell_angle_alpha   100.05
_cell_angle_beta   100.05
_cell_angle_gamma   118.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeBiMo2
_chemical_formula_sum   'Fe1 Bi1 Mo2'
_cell_volume   67.97
_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
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.7  0.0  0.0  1.0
  Mo  Mo2  1  0.84  0.26  0.39  1.0
  Mo  Mo3  1  0.84  0.74  0.39  1.0

data_FeBiMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   5.19
_cell_length_c   5.27
_cell_angle_alpha   115.61
_cell_angle_beta   100.05
_cell_angle_gamma   102.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeBiMo2
_chemical_formula_sum   'Fe1 Bi1 Mo2'
_cell_volume   67.97
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.0  0.0  0.7  1.0
  Mo  Mo2  1  0.13  0.74  0.58  1.0
  Mo  Mo3  1  0.66  0.26  0.11  1.0

Fe Bi Mo Mo