data_Mg2TaW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   146.21
_cell_angle_beta   133.38
_cell_angle_gamma   58.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TaW
_chemical_formula_sum   'Mg2 Ta1 W1'
_cell_volume   72.31
_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  0.24  0.41  1.0
  Mg  Mg1  1  0.64  0.0  0.51  1.0
  Ta  Ta2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.92  1.0

data_Mg2TaW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.47
_cell_length_c   5.65
_cell_angle_alpha   113.31
_cell_angle_beta   106.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TaW
_chemical_formula_sum   'Mg2 Ta1 W1'
_cell_volume   72.31
_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  0.51  0.87  1.0
  Mg  Mg1  1  0.76  0.17  0.17  1.0
  Ta  Ta2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.92  0.92  1.0

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