data_Ca2MgTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   8.6
_cell_angle_alpha   102.76
_cell_angle_beta   102.76
_cell_angle_gamma   57.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2MgTe
_chemical_formula_sum   'Ca2 Mg1 Te1'
_cell_volume   137.02
_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  0.29  0.0  0.01  1.0
  Ca  Ca1  1  0.31  0.0  0.31  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.8  0.0  0.16  1.0

data_Ca2MgTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   4.43
_cell_length_c   8.6
_cell_angle_alpha   102.76
_cell_angle_beta   90.0
_cell_angle_gamma   118.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2MgTe
_chemical_formula_sum   'Ca2 Mg1 Te1'
_cell_volume   137.02
_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  0.69  0.69  1.0
  Ca  Ca1  1  0.0  0.71  0.99  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.2  0.84  1.0

Ca Ca Mg Te