data_MgAs2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   4.78
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   109.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAs2W
_chemical_formula_sum   'Mg1 As2 W1'
_cell_volume   74.19
_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  0.74  0.0  0.38  1.0
  As  As0  1  0.01  0.0  0.4  1.0
  As  As1  1  0.33  0.39  0.05  1.0
  W  W3  1  0.99  0.39  0.56  1.0

data_MgAs2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.78
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   109.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAs2W
_chemical_formula_sum   'Mg1 As2 W1'
_cell_volume   74.19
_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  0.74  0.0  0.38  1.0
  As  As1  1  0.01  0.0  0.4  1.0
  As  As2  1  0.33  0.39  0.05  1.0
  W  W3  1  0.99  0.39  0.56  1.0

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