data_Sc2AgAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   3.94
_cell_angle_alpha   106.74
_cell_angle_beta   106.74
_cell_angle_gamma   40.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2AgAs
_chemical_formula_sum   'Sc2 Ag1 As1'
_cell_volume   79.68
_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  0.98  0.0  0.08  1.0
  Sc  Sc3  1  0.81  0.0  0.74  1.0
  Ag  Ag0  1  0.76  0.0  0.97  1.0
  As  As1  1  0.63  0.0  0.84  1.0

data_Sc2AgAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   3.98
_cell_length_c   5.69
_cell_angle_alpha   110.48
_cell_angle_beta   106.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2AgAs
_chemical_formula_sum   'Sc2 Ag1 As1'
_cell_volume   79.68
_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  0.26  0.0  0.19  1.0
  Sc  Sc1  1  0.92  0.0  0.02  1.0
  Ag  Ag2  1  0.03  0.0  0.24  1.0
  As  As3  1  0.16  0.0  0.37  1.0

Sc Sc Ag As