data_SrCa2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.47
_cell_length_b   7.47
_cell_length_c   7.47
_cell_angle_alpha   151.37
_cell_angle_beta   134.96
_cell_angle_gamma   54.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCa2Ge
_chemical_formula_sum   'Sr1 Ca2 Ge1'
_cell_volume   140.68
_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  Sr3  1  0.0  0.0  0.65  1.0
  Ca  Ca0  1  0.0  0.86  0.22  1.0
  Ca  Ca1  1  0.85  0.0  0.43  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0

data_SrCa2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   5.72
_cell_length_c   7.47
_cell_angle_alpha   112.52
_cell_angle_beta   104.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCa2Ge
_chemical_formula_sum   'Sr1 Ca2 Ge1'
_cell_volume   140.68
_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  0.65  0.65  1.0
  Ca  Ca1  1  0.0  0.43  0.58  1.0
  Ca  Ca2  1  0.14  0.36  0.36  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

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