data_Sr2GeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   6.53
_cell_angle_alpha   139.63
_cell_angle_beta   139.63
_cell_angle_gamma   58.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2GeAs
_chemical_formula_sum   'Sr2 Ge1 As1'
_cell_volume   115.62
_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  0.25  0.0  0.85  1.0
  Sr  Sr3  1  0.0  0.0  0.7  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.25  0.85  1.0

data_Sr2GeAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   6.53
_cell_angle_alpha   110.18
_cell_angle_beta   110.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2GeAs
_chemical_formula_sum   'Sr2 Ge1 As1'
_cell_volume   115.62
_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  0.7  0.7  0.7  1.0
  Sr  Sr1  1  0.85  0.6  0.6  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  As  As3  1  0.6  0.85  0.6  1.0

Sr Sr Ge As