data_[Ca1Mn2Pb1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mn  1.5500  1.4000  0.6483
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.2133]
_cell_length_b [8.0141]
_cell_length_c [6.4442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4547]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CaMn2PbCl8]
_chemical_formula_sum '[Ca1 Mn2 Pb1 Cl8]'
_cell_volume [320.8724]
_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
[
  Ca  Ca0  1  0.0000  0.0000  0.0000  1.0
  Mn  Mn1  2  0.5000  0.2456  0.5000  1.0
  Pb  Pb2  1  0.0000  0.5000  0.0000  1.0
  Cl  Cl3  4  0.2475  0.2376  0.1893  1.0
  Cl  Cl4  2  0.2880  0.0000  0.6624  1.0
  Cl  Cl5  2  0.2950  0.5000  0.6505  1.0
]