data_SrTaAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   6.37
_cell_angle_alpha   147.56
_cell_angle_beta   147.56
_cell_angle_gamma   46.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTaAs
_chemical_formula_sum   'Sr1 Ta1 As1'
_cell_volume   74.23
_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  Sr1  1  0.0  0.0  0.85  1.0
  Ta  Ta2  1  0.0  0.0  0.48  1.0
  As  As0  1  0.0  0.0  0.1  1.0

data_SrTaAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   113.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrTaAs
_chemical_formula_sum   'Sr2 Ta2 As2'
_cell_volume   148.46
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.35  0.5  0.85  1.0
  Ta  Ta1  2  0.48  0.0  0.48  1.0
  As  As2  2  0.1  0.0  0.1  1.0

Sr Ta As