data_Mg2TeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   142.99
_cell_angle_beta   132.8
_cell_angle_gamma   61.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TeW
_chemical_formula_sum   'Mg2 Te1 W1'
_cell_volume   77.89
_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  0.25  0.37  1.0
  Mg  Mg1  1  0.79  0.0  0.47  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.84  1.0

data_Mg2TeW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   4.51
_cell_length_c   5.63
_cell_angle_alpha   113.6
_cell_angle_beta   108.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TeW
_chemical_formula_sum   'Mg2 Te1 W1'
_cell_volume   77.89
_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  0.32  0.53  0.32  1.0
  Mg  Mg1  1  0.63  0.88  0.88  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.16  0.16  0.16  1.0

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