data_[Zn1Cu2Os1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.5674]
_cell_length_b [4.2648]
_cell_length_c [4.8604]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8901]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ZnCu2Os]
_chemical_formula_sum '[Zn1 Cu2 Os1]'
_cell_volume [52.8339]
_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  0.1787  0.5000  0.7503  1
  Cu  Cu1  1  0.8203  0.5000  0.2460  1
  Cu  Cu2  1  0.9963  0.0000  0.0048  1
  Os  Os3  1  0.5047  0.0000  0.4989  1
]