data_[Mg1V1Cu4Sn2]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3859]
_cell_length_b [4.3859]
_cell_length_c [6.4707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [MgV(Cu2Sn)2]
_chemical_formula_sum '[Mg1 V1 Cu4 Sn2]'
_cell_volume [124.4699]
_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
[
  Mg  Mg0  1  0.0000  0.0000  0.5000  1
  V  V1  1  0.5000  0.5000  0.0000  1
  Cu  Cu2  4  0.0000  0.5000  0.2480  1
  Sn  Sn3  1  0.0000  0.0000  0.0000  1
  Sn  Sn4  1  0.5000  0.5000  0.5000  1
]