data_[Zr4V4Mo4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  V  1.6300  1.3500  0.7775
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.2701]
_cell_length_b [5.3603]
_cell_length_c [7.4627]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [ZrVMo]
_chemical_formula_sum '[Zr4 V4 Mo4]'
_cell_volume [210.8161]
_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
[
  Zr  Zr0  4  0.0000  0.2500  0.8745  1.0
  V  V1  4  0.0000  0.0000  0.5000  1.0
  Mo  Mo2  4  0.2500  0.2500  0.2500  1.0
]