data_MnZn2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.68
_cell_length_b   4.23
_cell_length_c   5.01
_cell_angle_alpha   90.0
_cell_angle_beta   96.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZn2W
_chemical_formula_sum   'Mn1 Zn2 W1'
_cell_volume   56.41
_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  0.01  0.0  0.5  1.0
  Zn  Zn2  1  0.8  0.0  0.96  1.0
  Zn  Zn3  1  0.11  0.12  0.28  1.0
  W  W1  1  0.36  0.12  0.71  1.0

data_MnZn2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.23
_cell_length_c   5.01
_cell_angle_alpha   90.0
_cell_angle_beta   96.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZn2W
_chemical_formula_sum   'Mn1 Zn2 W1'
_cell_volume   56.41
_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  0.01  0.0  0.5  1.0
  Zn  Zn1  1  0.11  0.12  0.28  1.0
  Zn  Zn2  1  0.8  0.0  0.96  1.0
  W  W3  1  0.36  0.12  0.71  1.0

Mn Zn Zn W
Mn Zn Zn W 0 2 o o o 0 3 o o o 1 3 o o o 1 2 + o + 