data_MgBeMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.67
_cell_length_b   4.25
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   99.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBeMo2
_chemical_formula_sum   'Mg1 Be1 Mo2'
_cell_volume   59.62
_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
  Mg  Mg1  1  0.58  0.0  0.63  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.8  0.12  0.04  1.0
  Mo  Mo3  1  0.04  0.12  0.22  1.0

data_MgBeMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   4.25
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   99.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBeMo2
_chemical_formula_sum   'Mg1 Be1 Mo2'
_cell_volume   59.62
_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
  Mg  Mg0  1  0.58  0.0  0.63  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.04  0.12  0.22  1.0
  Mo  Mo3  1  0.8  0.12  0.04  1.0

Mg Be Mo Mo