data_Ba2MnCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   5.78
_cell_angle_alpha   119.42
_cell_angle_beta   119.42
_cell_angle_gamma   91.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2MnCr
_chemical_formula_sum   'Ba2 Mn1 Cr1'
_cell_volume   137.64
_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
  Ba  Ba0  1  0.0  0.91  0.03  1.0
  Ba  Ba1  1  0.91  0.0  0.03  1.0
  Mn  Mn3  1  0.0  0.0  0.05  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0

data_Ba2MnCr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.1
_cell_length_b   8.24
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   134.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2MnCr
_chemical_formula_sum   'Ba4 Mn2 Cr2'
_cell_volume   275.29
_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
  Ba  Ba0  4  0.43  0.46  0.97  1.0
  Mn  Mn1  2  0.45  0.5  0.95  1.0
  Cr  Cr2  2  0.0  0.0  0.0  1.0

Ba Ba Mn Cr