data_[La4Ga1Cu3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.4017]
_cell_length_b [4.4838]
_cell_length_c [10.1887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [La4GaCu3]
_chemical_formula_sum '[La4 Ga1 Cu3]'
_cell_volume [201.0870]
_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  0.8529  1.0
  La  La1  1  0.0000  0.5000  0.3499  1.0
  La  La2  1  0.5000  0.0000  0.1567  1.0
  La  La3  1  0.5000  0.5000  0.6387  1.0
  Ga  Ga4  1  0.5000  0.5000  0.9436  1.0
  Cu  Cu5  1  0.0000  0.0000  0.5542  1.0
  Cu  Cu6  1  0.0000  0.5000  0.0622  1.0
  Cu  Cu7  1  0.5000  0.0000  0.4418  1.0
]