data_ZrScMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   145.89
_cell_angle_beta   121.43
_cell_angle_gamma   69.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrScMo
_chemical_formula_sum   'Zr1 Sc1 Mo1'
_cell_volume   59.75
_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
  Zr  Zr2  1  0.0  0.0  0.53  1.0
  Sc  Sc1  1  0.0  0.0  0.73  1.0
  Mo  Mo0  1  0.0  0.0  0.24  1.0

data_ZrScMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.91
_cell_length_c   5.02
_cell_angle_alpha   119.28
_cell_angle_beta   107.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrScMo
_chemical_formula_sum   'Zr1 Sc1 Mo1'
_cell_volume   59.75
_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
  Zr  Zr0  1  0.0  0.53  0.53  1.0
  Sc  Sc1  1  0.0  0.73  0.73  1.0
  Mo  Mo2  1  0.0  0.24  0.24  1.0

Zr Sc Mo
Zr Sc Mo 0 1 o o o 0 2 o o o 