data_[Y2Ni2Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.6135]
_cell_length_b [4.3140]
_cell_length_c [7.4122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0442]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [YNiTe2]
_chemical_formula_sum '[Y2 Ni2 Te4]'
_cell_volume [211.4737]
_cell_formula_units_Z [2]
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
[
  Y  Y0  1  0.0000  0.0000  0.0000  1.0
  Y  Y1  1  0.0000  0.5000  0.5000  1.0
  Ni  Ni2  2  0.3215  0.5000  0.1689  1.0
  Te  Te3  2  0.2770  0.0000  0.3395  1.0
  Te  Te4  2  0.2830  0.5000  0.8300  1.0
]