data_[La4V4Mo8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  V  1.6300  1.3500  0.7775
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.2290]
_cell_length_b [5.5170]
_cell_length_c [13.3308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [LaVMo2]
_chemical_formula_sum '[La4 V4 Mo8]'
_cell_volume [311.0317]
_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
[
  La  La0  2  0.0000  0.0000  0.9889  1
  La  La1  2  0.0000  0.5000  0.6485  1
  V  V2  2  0.0000  0.0000  0.5145  1
  V  V3  2  0.0000  0.0000  0.7553  1
  Mo  Mo4  4  0.0000  0.2546  0.3186  1
  Mo  Mo5  2  0.0000  0.5000  0.1209  1
  Mo  Mo6  2  0.0000  0.5000  0.8818  1
]