data_[Ga4Ni8As4]
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 [P2_1/c]
_cell_length_a [7.0152]
_cell_length_b [5.7217]
_cell_length_c [5.2748]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2123]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [GaNi2As]
_chemical_formula_sum '[Ga4 Ni8 As4]'
_cell_volume [211.7237]
_cell_formula_units_Z [4]
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  4  0.3798  0.1075  0.6936  1.0
  Ni  Ni1  4  0.1085  0.1945  0.9923  1.0
  Ni  Ni2  4  0.3622  0.6872  0.5060  1.0
  As  As3  4  0.1343  0.5770  0.8110  1.0
]