data_[Y2Zr2Mn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zr  1.3300  1.5500  0.8600
  Mn  1.5500  1.4000  0.6483
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.3468]
_cell_length_b [4.4387]
_cell_length_c [10.5486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [YZrMn2]
_chemical_formula_sum '[Y2 Zr2 Mn4]'
_cell_volume [156.7045]
_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
[
  Y  Y0  2  0.0000  0.0000  0.5231  1
  Zr  Zr1  2  0.0000  0.5000  0.7499  1
  Mn  Mn2  2  0.0000  0.0000  0.9223  1
  Mn  Mn3  2  0.0000  0.5000  0.3046  1
]