data_K2CaMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   6.2
_cell_angle_alpha   121.29
_cell_angle_beta   121.29
_cell_angle_gamma   87.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CaMn
_chemical_formula_sum   'K2 Ca1 Mn1'
_cell_volume   165.38
_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
  K  K1  1  0.0  0.04  0.24  1.0
  K  K2  1  0.0  0.0  0.0  1.0
  Ca  Ca0  1  0.0  0.0  0.47  1.0
  Mn  Mn3  1  0.04  0.0  0.24  1.0

data_K2CaMn
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   6.2
_cell_angle_alpha   119.35
_cell_angle_beta   119.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CaMn
_chemical_formula_sum   'K2 Ca1 Mn1'
_cell_volume   165.38
_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
  K  K0  1  0.0  0.0  0.0  1.0
  K  K1  1  0.81  0.04  0.81  1.0
  Ca  Ca2  1  0.53  0.0  0.53  1.0
  Mn  Mn3  1  0.76  0.0  0.81  1.0

K K Ca Mn
K K Ca Mn 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 2 3 o o o 