data_[Lu3Ni4Ge1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.1654]
_cell_length_b [4.1136]
_cell_length_c [6.4522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.8579]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Lu3Ni4Ge]
_chemical_formula_sum '[Lu3 Ni4 Ge1]'
_cell_volume [136.7869]
_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
[
  Lu  Lu0  1  0.1352  0.0000  0.1920  1
  Lu  Lu1  1  0.6333  0.5000  0.3243  1
  Lu  Lu2  1  0.8429  0.5000  0.8215  1
  Ni  Ni3  1  0.1694  0.5000  0.5141  1
  Ni  Ni4  1  0.3531  0.5000  0.9155  1
  Ni  Ni5  1  0.6131  0.0000  0.0213  1
  Ni  Ni6  1  0.8740  0.0000  0.5471  1
  Ge  Ge7  1  0.3790  0.0000  0.6642  1
]