data_[Li2Ca1Mn1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Mn  1.5500  1.4000  0.6483
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3771]
_cell_length_b [6.7460]
_cell_length_c [7.8400]
_cell_angle_alpha [68.8513]
_cell_angle_beta [86.5999]
_cell_angle_gamma [77.9845]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2CaMnCl8]
_chemical_formula_sum '[Li2 Ca1 Mn1 Cl8]'
_cell_volume [307.6236]
_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
[
  Li  Li0  2  0.4690  0.3363  0.6942  1.0
  Ca  Ca1  1  0.0000  0.0000  0.5000  1.0
  Mn  Mn2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.1132  0.2186  0.7204  1.0
  Cl  Cl4  2  0.1383  0.1862  0.1430  1.0
  Cl  Cl5  2  0.3168  0.7612  0.0368  1.0
  Cl  Cl6  2  0.3797  0.7203  0.5670  1.0
]