data_[Mg4V4Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  V  1.6300  1.3500  0.7775
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5231]
_cell_length_b [3.0089]
_cell_length_c [5.9166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5284]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgVCu]
_chemical_formula_sum '[Mg4 V4 Cu4]'
_cell_volume [182.1375]
_cell_formula_units_Z [4]
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
[
  Mg  Mg0  4  0.0048  0.0000  0.7500  1
  V  V1  4  0.1951  0.5000  0.0918  1
  Cu  Cu2  4  0.1749  0.5000  0.5755  1
]