data_Ca4Mg3Cu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.84
_cell_length_b   7.84
_cell_length_c   8.4
_cell_angle_alpha   104.83
_cell_angle_beta   104.83
_cell_angle_gamma   30.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4Mg3Cu2
_chemical_formula_sum   'Ca4 Mg3 Cu2'
_cell_volume   253.44
_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  0.73  0.0  0.59  1.0
  Ca  Ca1  1  0.16  0.0  0.51  1.0
  Ca  Ca2  1  0.87  0.0  0.16  1.0
  Ca  Ca3  1  0.02  0.0  0.94  1.0
  Mg  Mg6  1  0.58  0.0  0.49  1.0
  Mg  Mg7  1  0.31  0.0  0.61  1.0
  Mg  Mg8  1  0.0  0.0  0.0  1.0
  Cu  Cu4  1  0.27  0.0  0.68  1.0
  Cu  Cu5  1  0.61  0.0  0.42  1.0

data_Ca4Mg3Cu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   7.84
_cell_length_c   8.4
_cell_angle_alpha   104.83
_cell_angle_beta   90.0
_cell_angle_gamma   105.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4Mg3Cu2
_chemical_formula_sum   'Ca4 Mg3 Cu2'
_cell_volume   253.44
_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  0.0  0.13  0.84  1.0
  Ca  Ca1  1  0.0  0.27  0.41  1.0
  Ca  Ca2  1  0.0  0.84  0.49  1.0
  Ca  Ca3  1  0.0  0.98  0.06  1.0
  Mg  Mg4  1  0.0  0.0  0.0  1.0
  Mg  Mg5  1  0.0  0.42  0.51  1.0
  Mg  Mg6  1  0.0  0.69  0.39  1.0
  Cu  Cu7  1  0.0  0.39  0.58  1.0
  Cu  Cu8  1  0.0  0.73  0.32  1.0

Ca Ca Ca Ca Mg Mg Mg Cu Cu