data_BaCrGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   3.77
_cell_length_c   7.09
_cell_angle_alpha   90.0
_cell_angle_beta   93.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCrGe2
_chemical_formula_sum   'Ba1 Cr1 Ge2'
_cell_volume   93.61
_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  0.27  0.88  0.34  1.0
  Cr  Cr1  1  0.87  0.0  0.67  1.0
  Ge  Ge2  1  0.65  0.88  0.37  1.0
  Ge  Ge3  1  0.01  0.0  0.32  1.0

data_BaCrGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   3.77
_cell_length_c   7.09
_cell_angle_alpha   90.0
_cell_angle_beta   93.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCrGe2
_chemical_formula_sum   'Ba1 Cr1 Ge2'
_cell_volume   93.61
_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  0.27  0.88  0.34  1.0
  Cr  Cr1  1  0.87  0.0  0.67  1.0
  Ge  Ge2  1  0.01  0.0  0.32  1.0
  Ge  Ge3  1  0.65  0.88  0.37  1.0

Ba Cr Ge Ge