data_LaBe2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   2.95
_cell_length_c   7.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBe2Mo
_chemical_formula_sum   'La1 Be2 Mo1'
_cell_volume   63.98
_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  0.68  1.0
  Be  Be0  1  0.47  0.47  0.39  1.0
  Be  Be1  1  0.47  0.47  0.97  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

data_LaBe2Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   7.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaBe2Mo
_chemical_formula_sum   'La2 Be4 Mo2'
_cell_volume   127.97
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.68  1.0
  Be  Be1  2  0.47  0.0  0.39  1.0
  Be  Be2  2  0.47  0.0  0.97  1.0
  Mo  Mo3  2  0.0  0.0  0.0  1.0

La Be Be Mo
La Be Be Mo 0 1 - - o 0 1 - o o 0 1 o - o 0 1 o o o 0 2 - - o 0 2 - o o 0 2 o - o 0 2 o o o 0 0 + o o 0 0 o + o 0 3 o o + 1 3 o o o 1 1 + o o 1 1 o + o 1 2 o o - 2 3 o o + 2 3 o + + 2 3 + o + 2 3 + + + 