data_GaNi2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   4.22
_cell_angle_alpha   99.1
_cell_angle_beta   99.1
_cell_angle_gamma   36.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaNi2As
_chemical_formula_sum   'Ga1 Ni2 As1'
_cell_volume   53.16
_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
  Ga  Ga1  1  0.7  0.0  0.34  1.0
  Ni  Ni2  1  0.32  0.0  0.04  1.0
  Ni  Ni3  1  0.43  0.0  0.19  1.0
  As  As0  1  0.03  0.0  0.83  1.0

data_GaNi2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.22
_cell_length_c   4.64
_cell_angle_alpha   99.1
_cell_angle_beta   108.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaNi2As
_chemical_formula_sum   'Ga1 Ni2 As1'
_cell_volume   53.16
_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
  Ga  Ga0  1  0.0  0.34  0.7  1.0
  Ni  Ni1  1  0.0  0.04  0.32  1.0
  Ni  Ni2  1  0.0  0.19  0.43  1.0
  As  As3  1  0.0  0.83  0.03  1.0

Ga Ni Ni As