data_[Ga2Ni6As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.8769]
_cell_length_b [7.0279]
_cell_length_c [5.1114]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [GaNi3As]
_chemical_formula_sum '[Ga2 Ni6 As2]'
_cell_volume [139.2645]
_cell_formula_units_Z [2]
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  2  0.0000  0.3502  0.1416  1
  Ni  Ni1  2  0.0000  0.3037  0.6165  1
  Ni  Ni2  2  0.5000  0.1946  0.2973  1
  Ni  Ni3  2  0.5000  0.4569  0.8962  1
  As  As4  2  0.5000  0.1341  0.7439  1
]