data_Sc2CoAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.15
_cell_length_b   8.15
_cell_length_c   8.15
_cell_angle_alpha   154.48
_cell_angle_beta   154.48
_cell_angle_gamma   36.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CoAg2
_chemical_formula_sum   'Sc2 Co1 Ag2'
_cell_volume   100.35
_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  0.15  1.0
  Sc  Sc4  1  0.0  0.0  0.33  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.8  0.87  1.0
  Ag  Ag1  1  0.8  0.0  0.87  1.0

data_Sc2CoAg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   8.15
_cell_angle_alpha   90.0
_cell_angle_beta   108.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2CoAg2
_chemical_formula_sum   'Sc4 Co2 Ag4'
_cell_volume   200.69
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.67  1.0
  Sc  Sc1  2  0.0  0.0  0.85  1.0
  Co  Co2  2  0.0  0.0  0.0  1.0
  Ag  Ag3  4  0.4  0.4  0.93  1.0

Sc Sc Co Ag Ag