data_[Mn2Sb2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Sb  2.0500  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [3.3837]
_cell_length_b [6.1434]
_cell_length_c [7.0312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.0708]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [MnSbCl]
_chemical_formula_sum '[Mn2 Sb2 Cl2]'
_cell_volume [145.5891]
_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
[
  Mn  Mn0  2  0.2122  0.0062  0.7853  1
  Sb  Sb1  2  0.3653  0.3513  0.5029  1
  Cl  Cl2  2  0.2442  0.6406  0.9977  1
]