data_[Zr2B2Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  B  2.0400  0.8500  0.4100
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.1767]
_cell_length_b [4.5570]
_cell_length_c [6.2824]
_cell_angle_alpha [79.4213]
_cell_angle_beta [83.2007]
_cell_angle_gamma [89.8169]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ZrBMo]
_chemical_formula_sum '[Zr2 B2 Mo2]'
_cell_volume [88.7538]
_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
[
  Zr  Zr0  2  0.3115  0.2125  0.1539  1
  B  B1  2  0.2520  0.8861  0.5294  1
  Mo  Mo2  2  0.2062  0.3396  0.6498  1
]