data_[Li4Mg4V4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  V  1.6300  1.3500  0.7775
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.3901]
_cell_length_b [4.7951]
_cell_length_c [5.9246]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7305]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiMgV]
_chemical_formula_sum '[Li4 Mg4 V4]'
_cell_volume [209.7048]
_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
[
  Li  Li0  2  0.0308  0.0000  0.3220  1
  Li  Li1  2  0.3320  0.0000  0.9628  1
  Mg  Mg2  2  0.1884  0.5000  0.1520  1
  Mg  Mg3  2  0.3786  0.0000  0.5026  1
  V  V4  2  0.2386  0.5000  0.6822  1
  V  V5  2  0.4826  0.5000  0.7865  1
]