data_LiMnCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.35
_cell_length_b   4.06
_cell_length_c   4.79
_cell_angle_alpha   90.0
_cell_angle_beta   99.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnCr2
_chemical_formula_sum   'Li1 Mn1 Cr2'
_cell_volume   45.13
_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  Li2  1  0.0  0.0  0.0  1.0
  Mn  Mn3  1  0.78  0.0  0.36  1.0
  Cr  Cr0  1  0.98  0.03  0.51  1.0
  Cr  Cr1  1  0.57  0.03  0.21  1.0

data_LiMnCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.35
_cell_length_b   4.06
_cell_length_c   4.79
_cell_angle_alpha   90.0
_cell_angle_beta   99.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnCr2
_chemical_formula_sum   'Li1 Mn1 Cr2'
_cell_volume   45.13
_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  0.78  0.0  0.36  1.0
  Cr  Cr2  1  0.57  0.03  0.21  1.0
  Cr  Cr3  1  0.98  0.03  0.51  1.0

Li Mn Cr Cr
Li Mn Cr Cr 0 3 - o o 0 3 o o o 1 3 o o o 1 2 o o o 