data_[Zr4Be1Os3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Be  1.5700  1.0500  0.5900
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2748]
_cell_length_b [3.2748]
_cell_length_c [12.9630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Zr4BeOs3]
_chemical_formula_sum '[Zr4 Be1 Os3]'
_cell_volume [139.0154]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.1185  1
  Zr  Zr1  2  0.0000  0.0000  0.3726  1
  Be  Be2  1  0.5000  0.5000  0.0000  1
  Os  Os3  2  0.5000  0.5000  0.2438  1
  Os  Os4  1  0.5000  0.5000  0.5000  1
]