data_Sc2BeAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   5.79
_cell_angle_alpha   101.79
_cell_angle_beta   101.79
_cell_angle_gamma   42.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2BeAg
_chemical_formula_sum   'Sc2 Be1 Ag1'
_cell_volume   79.55
_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  0.22  0.0  0.37  1.0
  Sc  Sc3  1  0.02  0.0  0.28  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.62  0.0  0.82  1.0

data_Sc2BeAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.57
_cell_length_c   5.79
_cell_angle_alpha   101.79
_cell_angle_beta   90.0
_cell_angle_gamma   111.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2BeAg
_chemical_formula_sum   'Sc2 Be1 Ag1'
_cell_volume   79.55
_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  0.78  0.63  1.0
  Sc  Sc1  1  0.0  0.98  0.72  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.0  0.38  0.18  1.0

Sc Sc Be Ag