data_[Ba1Sr1Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.4788]
_cell_length_b [3.4839]
_cell_length_c [9.9436]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6049]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [BaSrMo2]
_chemical_formula_sum '[Ba1 Sr1 Mo2]'
_cell_volume [120.4673]
_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
[
  Ba  Ba0  1  0.5297  0.5000  0.1838  1
  Sr  Sr1  1  0.9720  0.0000  0.5774  1
  Mo  Mo2  1  0.0044  0.0000  0.9150  1
  Mo  Mo3  1  0.4939  0.5000  0.8239  1
]