data_Sr2CaGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.56
_cell_length_b   11.56
_cell_length_c   11.56
_cell_angle_alpha   20.64
_cell_angle_beta   20.64
_cell_angle_gamma   20.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CaGe
_chemical_formula_sum   'Sr2 Ca1 Ge1'
_cell_volume   168.21
_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  0.0  0.0  0.73  1.0
  Sr  Sr3  1  0.0  0.0  0.21  1.0
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.0  0.97  1.0

data_Sr2CaGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.18
_cell_length_b   4.14
_cell_length_c   11.56
_cell_angle_alpha   90.0
_cell_angle_beta   101.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2CaGe
_chemical_formula_sum   'Sr4 Ca2 Ge2'
_cell_volume   336.41
_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  0.79  1.0
  Sr  Sr1  2  -0.0  0.0  0.27  1.0
  Ca  Ca2  2  0.0  0.0  0.0  1.0
  Ge  Ge3  2  -0.0  0.0  0.03  1.0

Sr Sr Ca Ge