data_LaMnCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.99
_cell_length_b   8.99
_cell_length_c   8.99
_cell_angle_alpha   18.46
_cell_angle_beta   18.46
_cell_angle_gamma   18.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMnCr2
_chemical_formula_sum   'La1 Mn1 Cr2'
_cell_volume   63.73
_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
  La  La2  1  0.0  0.0  0.26  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.0  0.0  0.34  1.0
  Cr  Cr1  1  0.0  0.0  0.17  1.0

data_LaMnCr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.0
_cell_length_b   2.89
_cell_length_c   8.99
_cell_angle_alpha   90.0
_cell_angle_beta   100.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaMnCr2
_chemical_formula_sum   'La2 Mn2 Cr4'
_cell_volume   127.45
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  La  La0  2  0.0  0.0  0.74  1.0
  Mn  Mn1  2  0.0  0.0  0.0  1.0
  Cr  Cr2  2  0.0  0.0  0.66  1.0
  Cr  Cr3  2  0.0  0.0  0.83  1.0

La Mn Cr Cr
La Mn Cr Cr 0 3 o o o 0 2 o o o 1 3 o o o 