data_MgNiW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   147.44
_cell_angle_beta   132.34
_cell_angle_gamma   58.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNiW2
_chemical_formula_sum   'Mg1 Ni1 W2'
_cell_volume   61.37
_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
  Ni  Ni1  1  0.0  0.0  0.68  1.0
  W  W2  1  0.0  0.17  0.19  1.0
  W  W3  1  0.51  0.0  0.5  1.0

data_MgNiW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.35
_cell_length_c   5.38
_cell_angle_alpha   113.83
_cell_angle_beta   106.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNiW2
_chemical_formula_sum   'Mg1 Ni1 W2'
_cell_volume   61.37
_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
  Ni  Ni1  1  0.0  0.68  0.68  1.0
  W  W2  1  0.0  0.5  0.99  1.0
  W  W3  1  0.83  0.01  0.01  1.0

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