data_[Y3Ni4Te1]
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 [Pm]
_cell_length_a [5.3570]
_cell_length_b [4.0474]
_cell_length_c [6.9901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0534]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Y3Ni4Te]
_chemical_formula_sum '[Y3 Ni4 Te1]'
_cell_volume [151.5342]
_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
[
  Y  Y0  1  0.1257  0.5000  0.8185  1
  Y  Y1  1  0.3763  0.5000  0.3267  1
  Y  Y2  1  0.8749  0.0000  0.1806  1
  Ni  Ni3  1  0.1313  0.0000  0.5401  1
  Ni  Ni4  1  0.3720  0.0000  0.0323  1
  Ni  Ni5  1  0.6253  0.5000  0.9564  1
  Ni  Ni6  1  0.8704  0.5000  0.4733  1
  Te  Te7  1  0.6242  0.0000  0.6720  1
]