data_MgBiW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   4.84
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   95.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBiW2
_chemical_formula_sum   'Mg1 Bi1 W2'
_cell_volume   78.63
_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  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.22  0.0  0.75  1.0
  W  W2  1  0.87  0.42  0.19  1.0
  W  W3  1  0.57  0.42  0.32  1.0

data_MgBiW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.84
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   95.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBiW2
_chemical_formula_sum   'Mg1 Bi1 W2'
_cell_volume   78.63
_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  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.22  0.0  0.75  1.0
  W  W2  1  0.57  0.42  0.32  1.0
  W  W3  1  0.87  0.42  0.19  1.0

Mg Bi W W