data_[Ni2Te1Os1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.1543]
_cell_length_b [4.1441]
_cell_length_c [4.4291]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ni2TeOs]
_chemical_formula_sum '[Ni2 Te1 Os1]'
_cell_volume [57.8968]
_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
[
  Ni  Ni0  1  0.0000  0.0000  0.7084  1
  Ni  Ni1  1  0.0000  0.5000  0.0367  1
  Te  Te2  1  0.5000  0.0000  0.1902  1
  Os  Os3  1  0.5000  0.5000  0.5647  1
]