data_BeCr2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.58
_cell_length_b   3.93
_cell_length_c   4.63
_cell_angle_alpha   90.0
_cell_angle_beta   98.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCr2Ge
_chemical_formula_sum   'Be1 Cr2 Ge1'
_cell_volume   46.43
_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
  Be  Be0  1  0.37  0.0  0.55  1.0
  Cr  Cr1  1  0.81  0.96  0.48  1.0
  Cr  Cr2  1  0.88  0.0  0.13  1.0
  Ge  Ge3  1  0.61  0.96  0.28  1.0

data_BeCr2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.58
_cell_length_b   3.93
_cell_length_c   4.63
_cell_angle_alpha   90.0
_cell_angle_beta   98.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCr2Ge
_chemical_formula_sum   'Be1 Cr2 Ge1'
_cell_volume   46.43
_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
  Be  Be0  1  0.37  0.0  0.55  1.0
  Cr  Cr1  1  0.81  0.96  0.48  1.0
  Cr  Cr2  1  0.88  0.0  0.13  1.0
  Ge  Ge3  1  0.61  0.96  0.28  1.0

Be Cr Cr Ge