data_BaCrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   119.57
_cell_angle_beta   119.57
_cell_angle_gamma   90.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCrNi2
_chemical_formula_sum   'Ba1 Cr1 Ni2'
_cell_volume   78.03
_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  0.0  0.36  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.41  0.0  0.68  1.0
  Ni  Ni3  1  0.0  0.41  0.68  1.0

data_BaCrNi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.72
_cell_length_b   6.81
_cell_length_c   4.79
_cell_angle_alpha   90.0
_cell_angle_beta   134.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaCrNi2
_chemical_formula_sum   'Ba2 Cr2 Ni4'
_cell_volume   156.05
_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  2  0.0  0.0  0.64  1.0
  Cr  Cr1  2  0.0  0.0  0.0  1.0
  Ni  Ni2  4  0.3  0.3  0.32  1.0

Ba Cr Ni Ni