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 [P1]
_cell_length_a [3.8682]
_cell_length_b [4.5078]
_cell_length_c [10.0079]
_cell_angle_alpha [80.3989]
_cell_angle_beta [87.6704]
_cell_angle_gamma [64.7848]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SrNiMo]
_chemical_formula_sum '[Sr2 Ni2 Mo2]'
_cell_volume [155.5777]
_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  0.1027  0.5581  0.3787  1
  Sr  Sr1  1  0.6962  0.2427  0.0048  1
  Ni  Ni2  1  0.0630  0.5641  0.7259  1
  Ni  Ni3  1  0.4463  0.8358  0.5543  1
  Mo  Mo4  1  0.3715  0.9341  0.7833  1
  Mo  Mo5  1  0.7485  0.2097  0.6473  1
]