data_Zr2WSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   3.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2WSe
_chemical_formula_sum   'Zr2 W1 Se1'
_cell_volume   76.26
_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
  Zr  Zr2  1  0.52  0.86  0.68  1.0
  Zr  Zr3  1  0.52  0.14  0.68  1.0
  W  W1  1  0.05  0.0  0.0  1.0
  Se  Se0  1  0.0  0.0  0.0  1.0

data_Zr2WSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   101.33
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2WSe
_chemical_formula_sum   'Zr2 W1 Se1'
_cell_volume   76.26
_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
  Zr  Zr0  1  0.68  0.52  0.14  1.0
  Zr  Zr1  1  0.68  0.52  0.86  1.0
  W  W2  1  0.0  0.05  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Zr Zr W Se
Zr Zr W Se 0 1 o + o 2 3 o o o 