data_Ba2MnCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   5.08
_cell_length_c   6.81
_cell_angle_alpha   90.0
_cell_angle_beta   108.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2MnCr
_chemical_formula_sum   'Ba2 Mn1 Cr1'
_cell_volume   145.06
_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  0.04  0.0  0.89  1.0
  Ba  Ba1  1  0.52  0.54  0.17  1.0
  Mn  Mn3  1  0.26  0.54  0.76  1.0
  Cr  Cr2  1  0.31  0.0  0.27  1.0

data_Ba2MnCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.44
_cell_length_b   5.08
_cell_length_c   6.81
_cell_angle_alpha   90.0
_cell_angle_beta   108.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2MnCr
_chemical_formula_sum   'Ba2 Mn1 Cr1'
_cell_volume   145.06
_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  0.04  0.0  0.89  1.0
  Ba  Ba1  1  0.52  0.54  0.17  1.0
  Mn  Mn2  1  0.26  0.54  0.76  1.0
  Cr  Cr3  1  0.31  0.0  0.27  1.0

Ba Ba Mn Cr