data_[La4Mg6Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0874]
_cell_length_b [4.5170]
_cell_length_c [7.4091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9757]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Mg3Cu2]
_chemical_formula_sum '[La4 Mg6 Cu4]'
_cell_volume [336.7808]
_cell_formula_units_Z [2]
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  4  0.1343  0.5000  0.3488  1.0
  Mg  Mg1  4  0.1735  0.5000  0.8625  1.0
  Mg  Mg2  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu3  4  0.0705  0.0000  0.6482  1.0
]