data_SrSb2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   5.26
_cell_angle_alpha   110.16
_cell_angle_beta   110.16
_cell_angle_gamma   38.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSb2As
_chemical_formula_sum   'Sr1 Sb2 As1'
_cell_volume   115.31
_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
  Sr  Sr3  1  0.88  0.0  0.45  1.0
  Sb  Sb1  1  0.79  0.0  0.13  1.0
  Sb  Sb2  1  0.96  0.0  0.77  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_SrSb2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   5.26
_cell_length_c   6.17
_cell_angle_alpha   110.16
_cell_angle_beta   109.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSb2As
_chemical_formula_sum   'Sr1 Sb2 As1'
_cell_volume   115.31
_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
  Sr  Sr0  1  0.0  0.45  0.88  1.0
  Sb  Sb1  1  0.0  0.13  0.79  1.0
  Sb  Sb2  1  0.0  0.77  0.96  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Sr Sb Sb As
Sr Sb Sb As 0 1 o o o 0 2 o o o 1 3 + o o 2 3 + o + 