data_BaSrGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   6.11
_cell_angle_alpha   140.67
_cell_angle_beta   134.21
_cell_angle_gamma   61.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSrGe
_chemical_formula_sum   'Ba1 Sr1 Ge1'
_cell_volume   102.35
_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
  Ba  Ba0  1  0.0  0.0  0.38  1.0
  Sr  Sr2  1  0.0  0.0  0.12  1.0
  Ge  Ge1  1  0.0  0.0  0.45  1.0

data_BaSrGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   4.75
_cell_length_c   6.11
_cell_angle_alpha   112.9
_cell_angle_beta   109.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSrGe
_chemical_formula_sum   'Ba1 Sr1 Ge1'
_cell_volume   102.35
_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
  Ba  Ba0  1  0.0  0.38  0.38  1.0
  Sr  Sr1  1  0.0  0.12  0.12  1.0
  Ge  Ge2  1  0.0  0.45  0.45  1.0

Ba Sr Ge