data_[Sr2Ni2Mo2]
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
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.1962]
_cell_length_b [4.1953]
_cell_length_c [8.0970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5835]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [SrNiMo]
_chemical_formula_sum '[Sr2 Ni2 Mo2]'
_cell_volume [142.5325]
_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
[
  Sr  Sr0  1  0.4559  0.0000  0.9946  1
  Sr  Sr1  1  0.9618  0.5000  0.3458  1
  Ni  Ni2  1  0.4474  0.5000  0.6776  1
  Ni  Ni3  1  0.9482  0.5000  0.8528  1
  Mo  Mo4  1  0.4684  0.0000  0.5292  1
  Mo  Mo5  1  0.9578  0.0000  0.6942  1
]