data_Sr2ReGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.3
_cell_length_b   6.3
_cell_length_c   6.3
_cell_angle_alpha   144.06
_cell_angle_beta   131.03
_cell_angle_gamma   62.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ReGe
_chemical_formula_sum   'Sr2 Re1 Ge1'
_cell_volume   109.66
_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  0.61  1.0
  Sr  Sr3  1  0.94  0.0  0.99  1.0
  Re  Re1  1  0.0  0.61  0.03  1.0
  Ge  Ge0  1  0.0  0.0  0.96  1.0

data_Sr2ReGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   5.22
_cell_length_c   6.3
_cell_angle_alpha   114.49
_cell_angle_beta   107.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ReGe
_chemical_formula_sum   'Sr2 Re1 Ge1'
_cell_volume   109.66
_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  0.39  0.39  0.39  1.0
  Sr  Sr1  1  0.95  0.01  0.95  1.0
  Re  Re2  1  0.97  0.59  0.59  1.0
  Ge  Ge3  1  0.04  0.04  0.04  1.0

Sr Sr Re Ge