data_BeCuGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   135.82
_cell_angle_beta   135.82
_cell_angle_gamma   64.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCuGe2
_chemical_formula_sum   'Be1 Cu1 Ge2'
_cell_volume   57.55
_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  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.86  0.0  0.09  1.0
  Ge  Ge2  1  0.0  0.0  0.18  1.0
  Ge  Ge3  1  0.0  0.86  0.09  1.0

data_BeCuGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   3.71
_cell_length_c   4.93
_cell_angle_alpha   112.09
_cell_angle_beta   112.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCuGe2
_chemical_formula_sum   'Be1 Cu1 Ge2'
_cell_volume   57.55
_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  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.09  0.23  0.23  1.0
  Ge  Ge2  1  0.18  0.18  0.18  1.0
  Ge  Ge3  1  0.23  0.09  0.23  1.0

Be Cu Ge Ge