data_ZrScCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   39.85
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrScCo2
_chemical_formula_sum   'Zr1 Sc1 Co2'
_cell_volume   64.52
_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  Zr3  1  0.99  0.0  0.18  1.0
  Sc  Sc2  1  0.0  0.0  0.92  1.0
  Co  Co0  1  0.99  0.0  0.98  1.0
  Co  Co1  1  0.0  0.0  0.58  1.0

data_ZrScCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   3.97
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   109.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrScCo2
_chemical_formula_sum   'Zr1 Sc1 Co2'
_cell_volume   64.52
_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  0.82  0.99  0.82  1.0
  Sc  Sc1  1  0.08  0.0  0.08  1.0
  Co  Co2  1  0.02  0.99  0.02  1.0
  Co  Co3  1  0.42  0.0  0.42  1.0

Zr Sc Co Co