data_Sc2ZnMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   137.77
_cell_angle_beta   132.37
_cell_angle_gamma   65.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2ZnMo
_chemical_formula_sum   'Sc2 Zn1 Mo1'
_cell_volume   73.63
_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  Sc1  1  0.0  0.0  0.91  1.0
  Sc  Sc2  1  0.92  0.0  0.33  1.0
  Zn  Zn3  1  0.0  0.0  0.56  1.0
  Mo  Mo0  1  0.0  0.15  0.1  1.0

data_Sc2ZnMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   4.3
_cell_length_c   5.32
_cell_angle_alpha   113.81
_cell_angle_beta   111.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2ZnMo
_chemical_formula_sum   'Sc2 Zn1 Mo1'
_cell_volume   73.63
_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  0.33  0.41  1.0
  Sc  Sc1  1  0.0  0.91  0.91  1.0
  Zn  Zn2  1  0.0  0.56  0.56  1.0
  Mo  Mo3  1  0.85  0.95  0.95  1.0

Sc Sc Zn Mo