data_[Pr2Mn2Cu2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mn  1.5500  1.4000  0.6483
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9280]
_cell_length_b [3.9846]
_cell_length_c [8.7959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2862]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrMnCuSe3]
_chemical_formula_sum '[Pr2 Mn2 Cu2 Se6]'
_cell_volume [270.4224]
_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
[
  Pr  Pr0  2  0.1911  0.2500  0.2472  1.0
  Mn  Mn1  2  0.3339  0.7500  0.8427  1.0
  Cu  Cu2  2  0.0796  0.2500  0.5823  1.0
  Se  Se3  2  0.0997  0.2500  0.8667  1.0
  Se  Se4  2  0.2479  0.7500  0.5220  1.0
  Se  Se5  2  0.4316  0.7500  0.1529  1.0
]