data_LaBe2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   144.69
_cell_angle_beta   121.66
_cell_angle_gamma   70.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBe2Re
_chemical_formula_sum   'La1 Be2 Re1'
_cell_volume   66.56
_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
  La  La2  1  0.0  0.0  0.21  1.0
  Be  Be0  1  0.0  0.0  0.43  1.0
  Be  Be1  1  0.0  0.52  0.54  1.0
  Re  Re3  1  0.57  0.0  0.72  1.0

data_LaBe2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   5.03
_cell_length_c   5.16
_cell_angle_alpha   119.17
_cell_angle_beta   107.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBe2Re
_chemical_formula_sum   'La1 Be2 Re1'
_cell_volume   66.56
_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
  La  La0  1  0.79  0.79  0.79  1.0
  Be  Be1  1  0.46  0.97  0.97  1.0
  Be  Be2  1  0.57  0.57  0.57  1.0
  Re  Re3  1  0.85  0.28  0.85  1.0

La Be Be Re