data_[Sr2Mn1Se3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mn  1.5500  1.4000  0.6483
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.5284]
_cell_length_b [7.5145]
_cell_length_c [18.3053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sr2MnSe3]
_chemical_formula_sum '[Sr2 Mn1 Se3]'
_cell_volume [622.8980]
_cell_formula_units_Z [1]
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
[
  Sr  Sr0  1  0.0000  0.0000  0.5762  1
  Sr  Sr1  1  0.0000  0.5000  0.4861  1
  Mn  Mn2  1  0.5000  0.0000  0.4484  1
  Se  Se3  2  0.5000  0.2594  0.5468  1
  Se  Se4  1  0.0000  0.0000  0.3957  1
]