data_[Sr2Mg1In6Ni1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.1061]
_cell_length_b [7.1061]
_cell_length_c [6.1961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Sr2MgIn6Ni]
_chemical_formula_sum '[Sr2 Mg1 In6 Ni1]'
_cell_volume [270.9651]
_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  0.3354  1.0
  Mg  Mg1  1  0.0000  0.0000  0.5000  1.0
  In  In2  6  0.1881  0.3763  0.8107  1.0
  Ni  Ni3  1  0.0000  0.0000  0.0000  1.0
]