data_[Zr2Mn10]
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 [Cm]
_cell_length_a [9.1273]
_cell_length_b [2.8521]
_cell_length_c [6.7427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3388]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZrMn5]
_chemical_formula_sum '[Zr2 Mn10]'
_cell_volume [162.3541]
_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  2  0.3068  0.0000  0.1086  1
  Mn  Mn1  2  0.1319  0.5000  0.3110  1
  Mn  Mn2  2  0.1393  0.5000  0.7281  1
  Mn  Mn3  2  0.3051  0.0000  0.6182  1
  Mn  Mn4  2  0.4649  0.5000  0.4866  1
  Mn  Mn5  2  0.4854  0.5000  0.9142  1
]