data_BeCrGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.57
_cell_angle_alpha   137.29
_cell_angle_beta   124.73
_cell_angle_gamma   72.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCrGe2
_chemical_formula_sum   'Be1 Cr1 Ge2'
_cell_volume   52.11
_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
  Cr  Cr1  1  0.0  0.0  0.69  1.0
  Ge  Ge2  1  0.66  0.0  0.77  1.0
  Ge  Ge3  1  0.0  0.12  0.92  1.0

data_BeCrGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.24
_cell_length_c   4.57
_cell_angle_alpha   117.64
_cell_angle_beta   111.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCrGe2
_chemical_formula_sum   'Be1 Cr1 Ge2'
_cell_volume   52.11
_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
  Cr  Cr1  1  0.0  0.69  0.69  1.0
  Ge  Ge2  1  0.0  0.77  0.1  1.0
  Ge  Ge3  1  0.88  0.8  0.8  1.0

Be Cr Ge Ge