data_LiMg2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   132.26
_cell_angle_beta   130.28
_cell_angle_gamma   71.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMg2V
_chemical_formula_sum   'Li1 Mg2 V1'
_cell_volume   77.52
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.0  0.18  0.13  1.0
  Mg  Mg2  1  0.1  0.0  0.09  1.0
  V  V3  1  0.0  0.0  0.22  1.0

data_LiMg2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   4.37
_cell_length_c   5.2
_cell_angle_alpha   114.86
_cell_angle_beta   113.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMg2V
_chemical_formula_sum   'Li1 Mg2 V1'
_cell_volume   77.52
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.0  0.09  0.99  1.0
  Mg  Mg2  1  0.82  0.94  0.94  1.0
  V  V3  1  0.0  0.22  0.22  1.0

Li Mg Mg V