data_ScCo2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   6.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCo2Sn
_chemical_formula_sum   'Sc1 Co2 Sn1'
_cell_volume   60.43
_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  Sc2  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.22  0.0  0.47  1.0
  Co  Co1  1  0.22  0.0  0.54  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0

data_ScCo2Sn
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   3.17
_cell_length_b   6.01
_cell_length_c   3.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   ScCo2Sn
_chemical_formula_sum   'Sc1 Co2 Sn1'
_cell_volume   60.45
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  '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
  Co  Co1  2  0.0  0.47  0.22  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0

Sc Co Co Sn 0 3 o o o 1 2 o o o 