data_MgInW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   5.35
_cell_angle_alpha   94.8
_cell_angle_beta   94.8
_cell_angle_gamma   32.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgInW2
_chemical_formula_sum   'Mg1 In1 W2'
_cell_volume   71.59
_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  0.06  0.0  0.35  1.0
  In  In0  1  0.59  0.0  0.61  1.0
  W  W2  1  0.54  0.0  0.24  1.0
  W  W3  1  0.01  0.0  0.11  1.0

data_MgInW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.99
_cell_length_c   5.35
_cell_angle_alpha   94.8
_cell_angle_beta   90.0
_cell_angle_gamma   106.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgInW2
_chemical_formula_sum   'Mg1 In1 W2'
_cell_volume   71.59
_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  0.94  0.65  1.0
  In  In1  1  0.0  0.41  0.39  1.0
  W  W2  1  0.0  0.46  0.76  1.0
  W  W3  1  0.0  0.99  0.89  1.0

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