data_ScMnNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   6.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMnNi2
_chemical_formula_sum   'Sc1 Mn1 Ni2'
_cell_volume   53.27
_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
  Sc  Sc3  1  0.0  0.0  0.06  1.0
  Mn  Mn0  1  0.04  0.0  0.95  1.0
  Ni  Ni1  1  0.0  0.0  0.15  1.0
  Ni  Ni2  1  0.04  0.0  0.29  1.0

data_ScMnNi2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   6.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ScMnNi2
_chemical_formula_sum   'Sc1 Mn1 Ni2'
_cell_volume   53.3
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Sc  Sc0  1  0.0  0.0  0.06  1.0
  Mn  Mn1  1  0.04  0.0  0.95  1.0
  Ni  Ni2  1  0.0  0.0  0.15  1.0
  Ni  Ni3  1  0.04  0.0  0.29  1.0

Sc Mn Ni Ni