data_[Zr10Mn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Mn  1.5500  1.4000  0.6483
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9789]
_cell_length_b [3.2924]
_cell_length_c [7.4345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6226]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr5Mn]
_chemical_formula_sum '[Zr10 Mn2]'
_cell_volume [253.1240]
_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  0.1349  0.5000  0.8637  1.0
  Zr  Zr1  4  0.1721  0.5000  0.3104  1.0
  Zr  Zr2  2  0.0000  0.0000  0.5000  1.0
  Mn  Mn3  2  0.0000  0.0000  0.0000  1.0
]