data_MnZn2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   4.51
_cell_angle_alpha   128.21
_cell_angle_beta   128.21
_cell_angle_gamma   76.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZn2W
_chemical_formula_sum   'Mn1 Zn2 W1'
_cell_volume   55.08
_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
  Zn  Zn2  1  0.0  0.0  0.55  1.0
  Zn  Zn3  1  0.0  0.97  0.77  1.0
  W  W1  1  0.97  0.0  0.77  1.0

data_MnZn2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   4.51
_cell_angle_alpha   115.9
_cell_angle_beta   115.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZn2W
_chemical_formula_sum   'Mn1 Zn2 W1'
_cell_volume   55.08
_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
  Zn  Zn1  1  0.55  0.55  0.55  1.0
  Zn  Zn2  1  0.8  0.77  0.8  1.0
  W  W3  1  0.77  0.8  0.8  1.0

Mn Zn Zn W