data_Be2GaRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   2.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2GaRe
_chemical_formula_sum   'Be2 Ga1 Re1'
_cell_volume   47.87
_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  0.29  0.26  0.33  1.0
  Be  Be1  1  0.29  0.74  0.33  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.58  0.0  0.0  1.0

data_Be2GaRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.34
_cell_length_c   4.34
_cell_angle_alpha   106.84
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2GaRe
_chemical_formula_sum   'Be2 Ga1 Re1'
_cell_volume   47.87
_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  0.33  0.29  0.26  1.0
  Be  Be1  1  0.33  0.29  0.74  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.58  0.0  1.0

Be Be Ga Re
Be Be Ga Re 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o + o 1 3 o + o 2 3 - o o 