data_[Sr4La4Mo4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  La  1.1000  1.9500  1.1720
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [5.1377]
_cell_length_b [5.4189]
_cell_length_c [13.2508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [SrLaMo]
_chemical_formula_sum '[Sr4 La4 Mo4]'
_cell_volume [368.9136]
_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  4  0.0000  0.0000  0.3104  1
  La  La1  4  0.0000  0.0000  0.0455  1
  Mo  Mo2  4  0.0000  0.0000  0.6441  1
]