data_[La4Cu1Ge3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.2170]
_cell_length_b [4.4555]
_cell_length_c [11.3468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [La4CuGe3]
_chemical_formula_sum '[La4 Cu1 Ge3]'
_cell_volume [213.1922]
_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
[
  La  La0  1  0.0000  0.0000  0.8618  1.0
  La  La1  1  0.0000  0.5000  0.3594  1.0
  La  La2  1  0.5000  0.0000  0.1355  1.0
  La  La3  1  0.5000  0.5000  0.6387  1.0
  Cu  Cu4  1  0.5000  0.5000  0.9373  1.0
  Ge  Ge5  1  0.0000  0.0000  0.5760  1.0
  Ge  Ge6  1  0.0000  0.5000  0.0700  1.0
  Ge  Ge7  1  0.5000  0.0000  0.4214  1.0
]