data_[Zn2Mo1W1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Mo  2.1600  1.4500  0.7750
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.7340]
_cell_length_b [4.3510]
_cell_length_c [5.1515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0126]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Zn2MoW]
_chemical_formula_sum '[Zn2 Mo1 W1]'
_cell_volume [60.6803]
_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
[
  Zn  Zn0  1  0.8680  0.0000  0.0010  1
  Zn  Zn1  1  0.8835  0.5000  0.2488  1
  Mo  Mo2  1  0.4729  0.0000  0.4981  1
  W  W3  1  0.2756  0.5000  0.7521  1
]