data_BaMg2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   4.14
_cell_length_c   7.83
_cell_angle_alpha   90.0
_cell_angle_beta   91.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMg2W
_chemical_formula_sum   'Ba1 Mg2 W1'
_cell_volume   100.18
_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  0.0  0.0  1.0
  Mg  Mg1  1  0.46  0.07  0.5  1.0
  Mg  Mg2  1  0.39  0.07  0.32  1.0
  W  W3  1  0.88  0.0  0.91  1.0

data_BaMg2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.14
_cell_length_c   7.83
_cell_angle_alpha   90.0
_cell_angle_beta   91.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMg2W
_chemical_formula_sum   'Ba1 Mg2 W1'
_cell_volume   100.18
_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  0.0  0.0  1.0
  Mg  Mg1  1  0.39  0.07  0.32  1.0
  Mg  Mg2  1  0.46  0.07  0.5  1.0
  W  W3  1  0.88  0.0  0.91  1.0

Ba Mg Mg W