data_SrZnGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   5.86
_cell_angle_alpha   104.4
_cell_angle_beta   104.4
_cell_angle_gamma   51.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZnGe2
_chemical_formula_sum   'Sr1 Zn1 Ge2'
_cell_volume   95.21
_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  0.37  0.0  0.81  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.79  0.0  0.78  1.0
  Ge  Ge1  1  0.96  0.0  0.84  1.0

data_SrZnGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   4.65
_cell_length_c   5.86
_cell_angle_alpha   104.4
_cell_angle_beta   90.0
_cell_angle_gamma   115.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZnGe2
_chemical_formula_sum   'Sr1 Zn1 Ge2'
_cell_volume   95.21
_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  0.63  0.19  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.0  0.04  0.16  1.0
  Ge  Ge3  1  0.0  0.21  0.22  1.0

Sr Zn Ge Ge
Sr Zn Ge Ge 0 1 o o + 0 3 - o o 0 2 o o o 1 3 - o - 2 3 o o o 