data_LaMg2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   5.51
_cell_angle_alpha   99.0
_cell_angle_beta   99.0
_cell_angle_gamma   30.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMg2W
_chemical_formula_sum   'La1 Mg2 W1'
_cell_volume   89.91
_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
  La  La0  1  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.14  0.0  0.54  1.0
  Mg  Mg2  1  0.89  0.0  0.89  1.0
  W  W3  1  0.02  0.0  0.72  1.0

data_LaMg2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   5.51
_cell_length_c   5.67
_cell_angle_alpha   99.0
_cell_angle_beta   105.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMg2W
_chemical_formula_sum   'La1 Mg2 W1'
_cell_volume   89.91
_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
  La  La0  1  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.0  0.54  0.14  1.0
  Mg  Mg2  1  0.0  0.89  0.89  1.0
  W  W3  1  0.0  0.72  0.02  1.0

La Mg Mg W
La Mg Mg W 0 2 - o - 1 3 o o o 2 3 + o o 