data_LiMn2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   2.37
_cell_angle_alpha   99.88
_cell_angle_beta   99.88
_cell_angle_gamma   116.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn2V
_chemical_formula_sum   'Li1 Mn2 V1'
_cell_volume   45.78
_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
  Mn  Mn1  1  0.86  0.04  0.12  1.0
  Mn  Mn2  1  0.86  0.96  0.12  1.0
  V  V3  1  0.5  0.0  0.0  1.0

data_LiMn2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.37
_cell_length_b   4.78
_cell_length_c   4.79
_cell_angle_alpha   117.51
_cell_angle_beta   99.88
_cell_angle_gamma   98.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn2V
_chemical_formula_sum   'Li1 Mn2 V1'
_cell_volume   45.78
_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
  Mn  Mn1  1  0.08  0.96  0.82  1.0
  Mn  Mn2  1  0.16  0.04  0.9  1.0
  V  V3  1  0.0  0.0  0.5  1.0

Li Mn Mn V