data_[Y3Ni4Ge1]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.2439]
_cell_length_b [4.1436]
_cell_length_c [6.6524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5513]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Y3Ni4Ge]
_chemical_formula_sum '[Y3 Ni4 Ge1]'
_cell_volume [144.0951]
_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  0.1297  0.0000  0.1911  1
  Y  Y1  1  0.6309  0.5000  0.3262  1
  Y  Y2  1  0.8371  0.5000  0.8211  1
  Ni  Ni3  1  0.1782  0.5000  0.5213  1
  Ni  Ni4  1  0.3529  0.5000  0.9099  1
  Ni  Ni5  1  0.6023  0.0000  0.0175  1
  Ni  Ni6  1  0.8905  0.0000  0.5475  1
  Ge  Ge7  1  0.3784  0.0000  0.6653  1
]