data_[Ni4Ge3Te1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.4010]
_cell_length_b [3.6632]
_cell_length_c [6.0395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1307]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ni4Ge3Te]
_chemical_formula_sum '[Ni4 Ge3 Te1]'
_cell_volume [119.4921]
_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  0.0124  0.0000  0.2855  1
  Ni  Ni1  1  0.0152  0.5000  0.7048  1
  Ni  Ni2  1  0.4808  0.5000  0.8259  1
  Ni  Ni3  1  0.5028  0.0000  0.1966  1
  Ge  Ge4  1  0.1951  0.0000  0.9145  1
  Ge  Ge5  1  0.2881  0.5000  0.3909  1
  Ge  Ge6  1  0.8070  0.5000  0.0890  1
  Te  Te7  1  0.6986  0.0000  0.5928  1
]