data_BaMnNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   6.26
_cell_angle_alpha   147.69
_cell_angle_beta   147.69
_cell_angle_gamma   46.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMnNi
_chemical_formula_sum   'Ba1 Mn1 Ni1'
_cell_volume   69.87
_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  0.03  1.0
  Mn  Mn1  1  0.0  0.0  0.16  1.0
  Ni  Ni2  1  0.0  0.0  0.33  1.0

data_BaMnNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   6.26
_cell_angle_alpha   90.0
_cell_angle_beta   113.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaMnNi
_chemical_formula_sum   'Ba2 Mn2 Ni2'
_cell_volume   139.74
_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  0.03  0.0  0.03  1.0
  Mn  Mn1  2  0.16  0.0  0.16  1.0
  Ni  Ni2  2  0.33  0.0  0.33  1.0

Ba Mn Ni