data_LaBeRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   2.96
_cell_angle_alpha   104.12
_cell_angle_beta   104.12
_cell_angle_gamma   117.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBeRe2
_chemical_formula_sum   'La1 Be1 Re2'
_cell_volume   67.83
_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  La1  1  0.8  0.0  0.0  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.7  0.68  0.3  1.0
  Re  Re3  1  0.7  0.32  0.3  1.0

data_LaBeRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.95
_cell_length_c   5.42
_cell_angle_alpha   116.06
_cell_angle_beta   104.12
_cell_angle_gamma   93.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBeRe2
_chemical_formula_sum   'La1 Be1 Re2'
_cell_volume   67.83
_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  0.0  0.0  0.8  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.62  0.32  0.02  1.0
  Re  Re3  1  0.98  0.68  0.38  1.0

La Be Re Re