data_[Zr4Ta4Mn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ta  1.5000  1.4500  0.8200
  Mn  1.5500  1.4000  0.6483
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.3855]
_cell_length_b [6.3855]
_cell_length_c [4.8341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Zr2Ta2Mn]
_chemical_formula_sum '[Zr4 Ta4 Mn2]'
_cell_volume [197.1069]
_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  4  0.1615  0.6615  0.5000  1
  Ta  Ta1  4  0.1569  0.3431  0.0000  1
  Mn  Mn2  2  0.0000  0.0000  0.0000  1
]