data_ScNi2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   4.02
_cell_length_c   4.59
_cell_angle_alpha   90.0
_cell_angle_beta   107.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNi2As
_chemical_formula_sum   'Sc1 Ni2 As1'
_cell_volume   59.43
_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  0.88  0.0  0.4  1.0
  Ni  Ni1  1  0.55  0.0  0.05  1.0
  Ni  Ni2  1  0.33  0.01  0.79  1.0
  As  As0  1  0.19  0.01  0.31  1.0

data_ScNi2As
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.38
_cell_length_b   4.02
_cell_length_c   4.59
_cell_angle_alpha   90.0
_cell_angle_beta   107.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ScNi2As
_chemical_formula_sum   'Sc1 Ni2 As1'
_cell_volume   59.43
_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  0.88  0.0  0.4  1.0
  Ni  Ni1  1  0.33  0.0  0.79  1.0
  Ni  Ni2  1  0.55  0.0  0.05  1.0
  As  As3  1  0.19  0.0  0.31  1.0

Sc Ni Ni As