data_[Zr1Be10Cr1]
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
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.4397]
_cell_length_b [4.3766]
_cell_length_c [7.6467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [ZrBe10Cr]
_chemical_formula_sum '[Zr1 Be10 Cr1]'
_cell_volume [115.1148]
_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  1  0.0000  0.5000  0.5000  1
  Be  Be1  4  0.5000  0.2477  0.2379  1
  Be  Be2  2  0.0000  0.0000  0.3129  1
  Be  Be3  2  0.0000  0.5000  0.1523  1
  Be  Be4  1  0.5000  0.0000  0.5000  1
  Be  Be5  1  0.5000  0.5000  0.0000  1
  Cr  Cr6  1  0.0000  0.0000  0.0000  1
]