data_[K4Sr2Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sr  0.9500  2.0000  1.3200
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.3323]
_cell_length_b [3.7857]
_cell_length_c [8.6379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [K2SrMo]
_chemical_formula_sum '[K4 Sr2 Mo2]'
_cell_volume [368.7153]
_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
[
  K  K0  2  0.0007  0.0000  0.0274  1
  K  K1  2  0.2326  0.0000  0.7134  1
  Sr  Sr2  2  0.2654  0.5000  0.3119  1
  Mo  Mo3  2  0.0013  0.5000  0.4473  1
]