data_ScBeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   5.22
_cell_angle_alpha   121.32
_cell_angle_beta   121.32
_cell_angle_gamma   45.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBeAs2
_chemical_formula_sum   'Sc1 Be1 As2'
_cell_volume   69.51
_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  0.9  0.0  0.16  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.22  0.0  0.45  1.0
  As  As1  1  0.59  0.0  0.86  1.0

data_ScBeAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   4.75
_cell_length_c   4.9
_cell_angle_alpha   65.48
_cell_angle_beta   67.93
_cell_angle_gamma   67.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBeAs2
_chemical_formula_sum   'Sc1 Be1 As2'
_cell_volume   69.51
_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  0.75  0.16  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.0  0.73  0.86  1.0
  As  As3  1  0.0  0.77  0.45  1.0

Sc Be As As