data_[Zr2Mn2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1951]
_cell_length_b [3.9253]
_cell_length_c [9.7732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9686]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZrMnSe3]
_chemical_formula_sum '[Zr2 Mn2 Se6]'
_cell_volume [274.5310]
_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  0.0606  0.7500  0.1654  1.0
  Mn  Mn1  2  0.3873  0.7500  0.6078  1.0
  Se  Se2  2  0.0676  0.7500  0.6815  1.0
  Se  Se3  2  0.2299  0.2500  0.0267  1.0
  Se  Se4  2  0.3949  0.7500  0.3427  1.0
]