data_LiMn2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   4.72
_cell_angle_alpha   90.38
_cell_angle_beta   90.38
_cell_angle_gamma   31.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn2Cr
_chemical_formula_sum   'Li1 Mn2 Cr1'
_cell_volume   44.2
_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  Li1  1  0.0  0.0  0.0  1.0
  Mn  Mn2  1  0.03  0.0  0.57  1.0
  Mn  Mn3  1  0.07  0.0  0.14  1.0
  Cr  Cr0  1  0.05  0.0  0.36  1.0

data_LiMn2Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.31
_cell_length_b   4.22
_cell_length_c   4.72
_cell_angle_alpha   90.38
_cell_angle_beta   90.0
_cell_angle_gamma   105.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn2Cr
_chemical_formula_sum   'Li1 Mn2 Cr1'
_cell_volume   44.2
_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  0.0  0.93  0.86  1.0
  Mn  Mn2  1  0.0  0.97  0.43  1.0
  Cr  Cr3  1  0.0  0.95  0.64  1.0

Li Mn Mn Cr