data_Sc2MnAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   4.63
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   99.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2MnAg
_chemical_formula_sum   'Sc2 Mn1 Ag1'
_cell_volume   77.63
_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  Sc2  1  0.34  0.32  0.83  1.0
  Sc  Sc3  1  0.2  0.0  0.7  1.0
  Mn  Mn1  1  0.65  0.0  0.12  1.0
  Ag  Ag0  1  0.72  0.32  0.43  1.0

data_Sc2MnAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.63
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   99.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2MnAg
_chemical_formula_sum   'Sc2 Mn1 Ag1'
_cell_volume   77.63
_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  0.2  0.0  0.7  1.0
  Sc  Sc1  1  0.34  0.32  0.83  1.0
  Mn  Mn2  1  0.65  0.0  0.12  1.0
  Ag  Ag3  1  0.72  0.32  0.43  1.0

Sc Sc Mn Ag