data_Be2GaMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.65
_cell_length_b   3.15
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2GaMo
_chemical_formula_sum   'Be2 Ga1 Mo1'
_cell_volume   48.54
_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  0.0  0.0  0.24  1.0
  Be  Be1  1  0.33  0.58  0.2  1.0
  Ga  Ga2  1  0.0  0.0  0.72  1.0
  Mo  Mo3  1  0.33  0.58  0.54  1.0

data_Be2GaMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   3.15
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2GaMo
_chemical_formula_sum   'Be2 Ga1 Mo1'
_cell_volume   48.54
_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  0.0  0.0  0.24  1.0
  Be  Be1  1  0.33  0.58  0.2  1.0
  Ga  Ga2  1  0.0  0.0  0.72  1.0
  Mo  Mo3  1  0.33  0.58  0.54  1.0

Be Be Ga Mo
Be Be Ga Mo 0 1 o - o 0 3 o - o 1 3 o o o 2 3 o - o 2 3 o o o 