data_RbCaMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   7.03
_cell_length_c   7.03
_cell_angle_alpha   59.6
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbCaMg6
_chemical_formula_sum   'Rb1 Ca1 Mg6'
_cell_volume   236.57
_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
  Rb  Rb0  1  0.78  0.0  0.06  1.0
  Ca  Ca1  1  0.0  0.0  0.29  1.0
  Mg  Mg2  1  0.0  0.86  0.08  1.0
  Mg  Mg3  1  0.0  0.14  0.08  1.0
  Mg  Mg4  1  0.0  0.0  0.07  1.0
  Mg  Mg5  1  0.78  0.73  0.09  1.0
  Mg  Mg6  1  0.78  0.27  0.09  1.0
  Mg  Mg7  1  0.78  0.0  0.03  1.0

data_RbCaMg6
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.55
_cell_length_b   6.99
_cell_length_c   7.03
_cell_angle_alpha   119.8
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbCaMg6
_chemical_formula_sum   'Rb1 Ca1 Mg6'
_cell_volume   236.57
_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
  Rb  Rb0  1  0.22  0.06  0.06  1.0
  Ca  Ca1  1  0.0  0.29  0.29  1.0
  Mg  Mg2  1  -0.0  0.08  0.95  1.0
  Mg  Mg3  1  0.0  0.07  0.07  1.0
  Mg  Mg4  1  0.0  0.08  0.22  1.0
  Mg  Mg5  1  0.22  0.09  0.82  1.0
  Mg  Mg6  1  0.22  0.03  0.03  1.0
  Mg  Mg7  1  0.22  0.09  0.36  1.0

Rb Ca Mg Mg Mg Mg Mg Mg
Rb Ca Mg Mg Mg Mg Mg Mg 0 7 o o o 0 5 o - o 1 4 o o o 1 3 o o o 2 4 o + o 2 5 - o o 3 4 o o o 3 6 - o o 5 7 o + o 