data_MgBeW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   4.31
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   98.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBeW2
_chemical_formula_sum   'Mg1 Be1 W2'
_cell_volume   61.03
_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  0.38  0.16  0.86  1.0
  Be  Be0  1  0.77  0.0  0.48  1.0
  W  W2  1  0.66  0.0  0.06  1.0
  W  W3  1  0.92  0.16  0.35  1.0

data_MgBeW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.31
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   98.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBeW2
_chemical_formula_sum   'Mg1 Be1 W2'
_cell_volume   61.03
_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  0.38  0.16  0.86  1.0
  Be  Be1  1  0.77  0.0  0.48  1.0
  W  W2  1  0.66  0.0  0.06  1.0
  W  W3  1  0.92  0.16  0.35  1.0

Mg Be W W
Mg Be W W 0 2 o o + 1 3 o o o 