data_[Ta4Mn2Be4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Mn  1.5500  1.4000  0.6483
  Be  1.5700  1.0500  0.5900
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.1684]
_cell_length_b [6.1684]
_cell_length_c [3.2828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ta2MnBe2]
_chemical_formula_sum '[Ta4 Mn2 Be4]'
_cell_volume [124.9098]
_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
[
  Ta  Ta0  4  0.1788  0.3212  0.5000  1.0
  Mn  Mn1  2  0.0000  0.0000  0.0000  1.0
  Be  Be2  4  0.1195  0.6195  0.0000  1.0
]