data_MnW2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   2.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnW2Se
_chemical_formula_sum   'Mn1 W2 Se1'
_cell_volume   61.28
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.33  0.06  0.48  1.0
  W  W3  1  0.33  0.94  0.48  1.0
  Se  Se1  1  0.66  0.0  0.0  1.0

data_MnW2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   111.13
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnW2Se
_chemical_formula_sum   'Mn1 W2 Se1'
_cell_volume   61.28
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.48  0.33  0.94  1.0
  W  W2  1  0.48  0.33  0.06  1.0
  Se  Se3  1  0.0  0.66  0.0  1.0

Mn W W Se