data_MgIn2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   2.99
_cell_angle_alpha   101.15
_cell_angle_beta   101.15
_cell_angle_gamma   114.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn2W
_chemical_formula_sum   'Mg1 In2 W1'
_cell_volume   80.33
_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  Mg2  1  0.0  0.0  0.0  1.0
  In  In0  1  0.99  0.64  0.4  1.0
  In  In1  1  0.99  0.36  0.4  1.0
  W  W3  1  0.05  0.0  0.0  1.0

data_MgIn2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   114.39
_cell_angle_beta   101.15
_cell_angle_gamma   101.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn2W
_chemical_formula_sum   'Mg1 In2 W1'
_cell_volume   80.33
_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
  In  In1  1  0.4  0.99  0.64  1.0
  In  In2  1  0.4  0.99  0.36  1.0
  W  W3  1  -0.0  0.05  0.0  1.0

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