data_Sr3Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.53
_cell_length_b   8.53
_cell_length_c   8.53
_cell_angle_alpha   153.85
_cell_angle_beta   142.27
_cell_angle_gamma   46.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Ge
_chemical_formula_sum   'Sr3 Ge1'
_cell_volume   166.69
_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  0.84  1.0
  Sr  Sr2  1  0.93  0.0  0.61  1.0
  Sr  Sr3  1  0.0  0.76  0.22  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_Sr3Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   5.51
_cell_length_c   8.53
_cell_angle_alpha   108.86
_cell_angle_beta   103.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Ge
_chemical_formula_sum   'Sr3 Ge1'
_cell_volume   166.69
_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  0.16  0.16  0.16  1.0
  Sr  Sr1  1  0.32  0.39  0.32  1.0
  Sr  Sr2  1  0.78  0.54  0.54  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Sr Sr Sr Ge