data_Sr2ScAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.05
_cell_length_b   10.05
_cell_length_c   10.05
_cell_angle_alpha   24.91
_cell_angle_beta   24.91
_cell_angle_gamma   24.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ScAs
_chemical_formula_sum   'Sr2 Sc1 As1'
_cell_volume   158.27
_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  Sr2  1  0.0  0.0  0.64  1.0
  Sr  Sr3  1  0.0  0.0  0.56  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.6  1.0

data_Sr2ScAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.51
_cell_length_b   4.33
_cell_length_c   10.05
_cell_angle_alpha   90.0
_cell_angle_beta   104.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2ScAs
_chemical_formula_sum   'Sr4 Sc2 As2'
_cell_volume   316.53
_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  -0.0  0.0  0.36  1.0
  Sr  Sr1  2  -0.0  0.0  0.44  1.0
  Sc  Sc2  2  0.0  0.0  0.0  1.0
  As  As3  2  -0.0  0.0  0.4  1.0

Sr Sr Sc As
Sr Sr Sc As 0 3 o o o 0 2 o o + 1 3 o o o 1 2 o o + 2 2 o + - 2 2 + - o 2 2 + o - 2 3 o o - 