data_[Sr2Ni12As7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [9.5218]
_cell_length_b [9.5218]
_cell_length_c [3.9064]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Sr2Ni12As7]
_chemical_formula_sum '[Sr2 Ni12 As7]'
_cell_volume [306.7214]
_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
[
  Sr  Sr0  2  0.3333  0.6667  0.2469  1
  Ni  Ni1  6  0.0545  0.4283  0.7498  1
  Ni  Ni2  6  0.1182  0.2539  0.2302  1
  As  As3  6  0.1053  0.7036  0.7460  1
  As  As4  1  0.0000  0.0000  0.5000  1
]