data_[Sr4Ni4Mo4]
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 [Cm]
_cell_length_a [11.4586]
_cell_length_b [4.2188]
_cell_length_c [5.2929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1103]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SrNiMo]
_chemical_formula_sum '[Sr4 Ni4 Mo4]'
_cell_volume [255.6955]
_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
[
  Sr  Sr0  2  0.2299  0.5000  0.8526  1
  Sr  Sr1  2  0.2858  0.0000  0.3503  1
  Ni  Ni2  2  0.0084  0.0000  0.1074  1
  Ni  Ni3  2  0.0470  0.5000  0.3527  1
  Mo  Mo4  2  0.0080  0.0000  0.5929  1
  Mo  Mo5  2  0.4673  0.0000  0.8667  1
]