data_[Sr2Mn1In1]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.7995]
_cell_length_b [3.7995]
_cell_length_c [9.2545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Sr2MnIn]
_chemical_formula_sum '[Sr2 Mn1 In1]'
_cell_volume [133.6028]
_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  0.9347  1
  Sr  Sr1  1  0.5000  0.5000  0.3144  1
  Mn  Mn2  1  0.5000  0.5000  0.6863  1
  In  In3  1  0.0000  0.0000  0.5646  1
]