data_MgW2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   143.01
_cell_angle_beta   125.61
_cell_angle_gamma   67.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgW2Se
_chemical_formula_sum   'Mg1 W2 Se1'
_cell_volume   68.65
_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  0.37  1.0
  W  W2  1  0.0  0.0  0.02  1.0
  W  W3  1  0.66  0.0  0.01  1.0
  Se  Se1  1  0.0  0.39  0.28  1.0

data_MgW2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.77
_cell_length_c   5.22
_cell_angle_alpha   117.2
_cell_angle_beta   108.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgW2Se
_chemical_formula_sum   'Mg1 W2 Se1'
_cell_volume   68.65
_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  0.37  0.37  1.0
  W  W1  1  0.0  0.01  0.36  1.0
  W  W2  1  0.0  0.02  0.02  1.0
  Se  Se3  1  0.61  0.89  0.89  1.0

Mg W W Se