data_Ba2BeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   7.66
_cell_angle_alpha   99.31
_cell_angle_beta   99.31
_cell_angle_gamma   41.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2BeMo
_chemical_formula_sum   'Ba2 Be1 Mo1'
_cell_volume   131.96
_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
  Ba  Ba0  1  0.79  0.0  0.86  1.0
  Ba  Ba1  1  0.44  0.0  0.68  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.11  0.0  0.77  1.0

data_Ba2BeMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   5.12
_cell_length_c   7.66
_cell_angle_alpha   99.31
_cell_angle_beta   90.0
_cell_angle_gamma   110.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2BeMo
_chemical_formula_sum   'Ba2 Be1 Mo1'
_cell_volume   131.96
_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
  Ba  Ba0  1  0.0  0.21  0.14  1.0
  Ba  Ba1  1  0.0  0.56  0.32  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.89  0.23  1.0

Ba Ba Be Mo