data_ScBi2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.91
_cell_length_b   4.4
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBi2Mo
_chemical_formula_sum   'Sc1 Bi2 Mo1'
_cell_volume   91.86
_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
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.2  0.67  1.0
  Bi  Bi1  1  0.95  0.2  0.0  1.0
  Mo  Mo2  1  0.95  0.0  0.67  1.0

data_ScBi2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   4.4
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBi2Mo
_chemical_formula_sum   'Sc1 Bi2 Mo1'
_cell_volume   91.86
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.0  0.2  0.67  1.0
  Bi  Bi2  1  0.95  0.2  -0.0  1.0
  Mo  Mo3  1  0.95  0.0  0.67  1.0

Sc Bi Bi Mo